From 65f9dc6c6975d84821d820756248ac099409517d Mon Sep 17 00:00:00 2001
From: Pierre-Francois Loos <pierrefrancois.loos@gmail.com>
Date: Wed, 18 Nov 2020 17:42:36 +0100
Subject: [PATCH 1/4] add motherfucker table

---
 Data/FCI-all.xlsx          |   Bin 295926 -> 295972 bytes
 Data/QUESTDB.nb            | 13115 +++++++++++++++++-
 Manuscript/QUESTDB.bib     | 25812 ++++++++++++++++++-----------------
 Manuscript/QUEST_WIREs.tex |   836 +-
 Manuscript/errors.pdf      |   Bin 128163 -> 0 bytes
 Manuscript/fig2.pdf        |   Bin 56351 -> 128521 bytes
 Manuscript/fig3.pdf        |   Bin 0 -> 56351 bytes
 Manuscript/histograms.pdf  |   Bin 0 -> 135777 bytes
 8 files changed, 26461 insertions(+), 13302 deletions(-)
 delete mode 100644 Manuscript/errors.pdf
 create mode 100644 Manuscript/fig3.pdf
 create mode 100644 Manuscript/histograms.pdf

diff --git a/Data/FCI-all.xlsx b/Data/FCI-all.xlsx
index 53172dcb55428f94817a4057f92eafa4d516e46c..f5a2f7ffc24590f38bb71fb7217d7c30326a9f60 100644
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diff --git a/Data/QUESTDB.nb b/Data/QUESTDB.nb
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+- CCSDT/AVDZ]\"\>", "\<\"&\"\>", "\<\"Y\"\>", "\<\"\\\\\\\\\"\>"},
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+     "6.8200000000000002842`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", \
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+    {"191", "\<\"&\"\>", "\<\"\"\>", "\<\"&\"\>", "\<\"$^3A_2 (\\\\pi \\\\ra \
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+     "9.3399999999999998579`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", \
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+     "9.8800000000000007816`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", \
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+     "10.2899999999999991473`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", "\<\"&\"\
+\>", "\<\"Y\"\>", "\<\"\\\\\\\\\"\>"},
+    {"195", "\<\"&\"\>", "\<\"\[NonBreakingSpace] \[NonBreakingSpace] \
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+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
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+     "12.9800000000000004263`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", "\<\"&\"\
+\>", "\<\"Y\"\>", "\<\"\\\\\\\\\"\>"},
+    {"196", "\<\"&\"\>", "\<\"\[NonBreakingSpace] \[NonBreakingSpace] \
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+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \"\>", "\<\"&\"\>", "\<\"$^1\\\\Pi_u \[NonBreakingSpace]  \
+()$\"\>", "\<\"&\"\>", "\<\"R\"\>", "\<\"&\"\>", "82", "\<\"&\"\>", 
+     "0.458`", "\<\"&\"\>", 
+     "13.0299999999999993605`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", "\<\"&\"\
+\>", "\<\"Y\"\>", "\<\"\\\\\\\\\"\>"},
+    {"197", "\<\"&\"\>", "\<\"\[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
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+"\<\"&\"\>", "\<\"R\"\>", "\<\"&\"\>", "92", "\<\"&\"\>", 
+     "0.296`", "\<\"&\"\>", 
+     "13.0899999999999998579`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", "\<\"&\"\
+\>", "\<\"Y\"\>", "\<\"\\\\\\\\\"\>"},
+    {"198", "\<\"&\"\>", "\<\"\[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \"\>", "\<\"&\"\>", "\<\"$^1\\\\Pi_u\[NonBreakingSpace]  \
+()$\"\>", "\<\"&\"\>", "\<\"R\"\>", "\<\"&\"\>", "87", "\<\"&\"\>", 
+     "0.`", "\<\"&\"\>", 
+     "13.4600000000000008527`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", "\<\"&\"\
+\>", "\<\"Y\"\>", "\<\"\\\\\\\\\"\>"},
+    {"199", "\<\"&\"\>", "\<\"\[NonBreakingSpace] \[NonBreakingSpace] \
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+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \"\>", "\<\"&\"\>", "\<\"$^3\\\\Sigma_u^+\
+\[NonBreakingSpace] (\\\\pi \\\\ra \\\\pi^*)$\"\>", "\<\"&\"\>", "\<\"V\"\>", \
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+     "7.7000000000000001776`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", \
+"\<\"&\"\>", "\<\"Y\"\>", "\<\"\\\\\\\\\"\>"},
+    {"200", "\<\"&\"\>", "\<\"\[NonBreakingSpace] \[NonBreakingSpace] \
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+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \"\>", "\<\"&\"\>", "\<\"$^3\\\\Pi_g\[NonBreakingSpace]  \
+(n \\\\ra \\\\pi^*)$\"\>", "\<\"&\"\>", "\<\"V\"\>", "\<\"&\"\>", 
+     "98", "\<\"&\"\>", "\<\"\"\>", "\<\"&\"\>", 
+     "8.0099999999999997868`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", \
+"\<\"&\"\>", "\<\"Y\"\>", "\<\"\\\\\\\\\"\>"},
+    {"201", "\<\"&\"\>", "\<\"\[NonBreakingSpace] \[NonBreakingSpace] \
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+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
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+"\<\"$^3\\\\Delta_u\[NonBreakingSpace]  (\\\\pi \\\\ra \\\\pi^*)$\"\>", \
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+     "99", "\<\"&\"\>", "\<\"\"\>", "\<\"&\"\>", 
+     "8.8699999999999992184`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", \
+"\<\"&\"\>", "\<\"Y\"\>", "\<\"\\\\\\\\\"\>"},
+    {"202", "\<\"&\"\>", "\<\"\[NonBreakingSpace] \[NonBreakingSpace] \
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+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
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+\[NonBreakingSpace] (\\\\pi \\\\ra \\\\pi^*)$\"\>", "\<\"&\"\>", "\<\"V\"\>", \
+"\<\"&\"\>", "98", "\<\"&\"\>", "\<\"\"\>", "\<\"&\"\>", 
+     "9.6600000000000001421`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", \
+"\<\"&\"\>", "\<\"Y\"\>", "\<\"\\\\\\\\\"\>"},
+    {"203", "\<\"&\"\>", "\<\"Ethylene \"\>", "\<\"&\"\>", "\<\"$^1B_{3u} \
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+"\<\"R\"\>", "\<\"&\"\>", "95", "\<\"&\"\>", "0.078`", "\<\"&\"\>", 
+     "7.3899999999999996803`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", \
+"\<\"&\"\>", "\<\"Y\"\>", "\<\"\\\\\\\\\"\>"},
+    {"204", "\<\"&\"\>", "\<\"\[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \"\>", "\<\"&\"\>", "\<\"$^1B_{1u} \[NonBreakingSpace]  (\
+\\\\pi \\\\ra \\\\pi^*)$\"\>", "\<\"&\"\>", "\<\"V\"\>", "\<\"&\"\>", 
+     "95", "\<\"&\"\>", "0.346`", "\<\"&\"\>", 
+     "7.9299999999999997158`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", \
+"\<\"&\"\>", "\<\"Y\"\>", "\<\"\\\\\\\\\"\>"},
+    {"205", "\<\"&\"\>", "\<\"\[NonBreakingSpace] \[NonBreakingSpace] \
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+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
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+\\\\pi \\\\ra 3p)$\"\>", "\<\"&\"\>", "\<\"R\"\>", "\<\"&\"\>", 
+     "95", "\<\"&\"\>", "\<\"\"\>", "\<\"&\"\>", 
+     "8.0800000000000000711`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", \
+"\<\"&\"\>", "\<\"Y\"\>", "\<\"\\\\\\\\\"\>"},
+    {"206", "\<\"&\"\>", "\<\"\[NonBreakingSpace] \[NonBreakingSpace] \
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+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
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+\\\\pi \\\\ra \\\\pi^*)$\"\>", "\<\"&\"\>", "\<\"V\"\>", "\<\"&\"\>", 
+     "99", "\<\"&\"\>", "\<\"\"\>", "\<\"&\"\>", 
+     "4.5400000000000000355`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", \
+"\<\"&\"\>", "\<\"Y\"\>", "\<\"\\\\\\\\\"\>"},
+    {"207", "\<\"&\"\>", "\<\"\[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
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+(p3s\[NonBreakingSpace])$\"\>", "\<\"&\"\>", "\<\"R\"\>", "\<\"&\"\>", 
+     "98", "\<\"&\"\>", "\<\"\"\>", "\<\"&\"\>", 
+     "7.2300000000000004263`3.", "\<\"&\"\>", "\<\"exFCI/AVDZ + [CCSDT/AVTZ - \
+CCSDT/AVDZ]\"\>", "\<\"&\"\>", "\<\"Y\"\>", "\<\"\\\\\\\\\"\>"},
+    {"208", "\<\"&\"\>", "\<\"\[NonBreakingSpace] \[NonBreakingSpace] \
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+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
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+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
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+\\\\pi \\\\ra 3p)$\"\>", "\<\"&\"\>", "\<\"R\"\>", "\<\"&\"\>", 
+     "98", "\<\"&\"\>", "\<\"\"\>", "\<\"&\"\>", 
+     "7.9800000000000004263`3.", "\<\"&\"\>", "\<\"exFCI/AVDZ + [CCSDT/AVTZ - \
+CCSDT/AVDZ]\"\>", "\<\"&\"\>", "\<\"Y\"\>", "\<\"\\\\\\\\\"\>"},
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+\"&\"\>", "91", "\<\"&\"\>", "\<\"\"\>", "\<\"&\"\>", 
+     "3.9799999999999999822`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", \
+"\<\"&\"\>", "\<\"Y\"\>", "\<\"\\\\\\\\\"\>"},
+    {"210", "\<\"&\"\>", "\<\"\[NonBreakingSpace] \[NonBreakingSpace] \
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+\\ra 3s)$\"\>", "\<\"&\"\>", "\<\"R\"\>", "\<\"&\"\>", "91", "\<\"&\"\>", 
+     "0.021`", "\<\"&\"\>", 
+     "7.2300000000000004263`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", \
+"\<\"&\"\>", "\<\"Y\"\>", "\<\"\\\\\\\\\"\>"},
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+\\ra 3p)$\"\>", "\<\"&\"\>", "\<\"R\"\>", "\<\"&\"\>", "92", "\<\"&\"\>", 
+     "0.037`", "\<\"&\"\>", 
+     "8.1300000000000007816`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", \
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+\\ra 3p)$\"\>", "\<\"&\"\>", "\<\"R\"\>", "\<\"&\"\>", "91", "\<\"&\"\>", 
+     "0.052`", "\<\"&\"\>", 
+     "8.2300000000000004263`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", \
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+\\ra 3p)$\"\>", "\<\"&\"\>", "\<\"R\"\>", "\<\"&\"\>", 
+     "91", "\<\"&\"\>", "\<\"\"\>", "\<\"&\"\>", 
+     "8.6699999999999999289`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", \
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+\>", "\<\"&\"\>", "\<\"V\"\>", "\<\"&\"\>", "90", "\<\"&\"\>", 
+     "0.001`", "\<\"&\"\>", 
+     "9.2200000000000006395`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", \
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+(\\\\pi \\\\ra \\\\pi^*)$\"\>", "\<\"&\"\>", "\<\"V\"\>", "\<\"&\"\>", 
+     "90", "\<\"&\"\>", "0.135`", "\<\"&\"\>", 
+     "9.4299999999999997158`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", \
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+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
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+\\ra 3p)$\"\>", "\<\"&\"\>", "\<\"R\"\>", "\<\"&\"\>", "94", "\<\"&\"\>", 
+     "0.063`", "\<\"&\"\>", 
+     "6.2400000000000002132`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", \
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+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
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+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
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+\\ra 3p)$\"\>", "\<\"&\"\>", "\<\"R\"\>", "\<\"&\"\>", 
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+     "5.8799999999999998934`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", \
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+     "98", "\<\"&\"\>", "\<\"\"\>", "\<\"&\"\>", 
+     "5.7900000000000000355`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", \
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+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \"\>", "\<\"&\"\>", "\<\"$^3A_2\[NonBreakingSpace]  \
+(\\\\pi \\\\ra 3p)$\"\>", "\<\"&\"\>", "\<\"R\"\>", "\<\"&\"\>", 
+     "94", "\<\"&\"\>", "\<\"\"\>", "\<\"&\"\>", 
+     "7.1200000000000001066`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", \
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+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
+\[NonBreakingSpace] \[NonBreakingSpace] \[NonBreakingSpace] \
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+     "1.`3.", "\<\"&\"\>", "\<\"exFCI/AVTZ\"\>", "\<\"&\"\>", "\<\"Y\"\>", \
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+     "3.7999999999999998224`3.", "\<\"&\"\>", "\<\"CCSDT/AVDZ + [CC3/AVTZ - \
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+     "6.2099999999999999645`3.", "\<\"&\"\>", "\<\"CCSDT/AVDZ + [CC3/AVTZ - \
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+     "3.5699999999999998401`3.", "\<\"&\"\>", "\<\"CCSDT/6-31+G(d) + \
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+     "3.7400000000000002132`3.", "\<\"&\"\>", "\<\"CCSDT/6-31+G(d) + \
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diff --git a/Manuscript/QUESTDB.bib b/Manuscript/QUESTDB.bib
index 91109b8..5b79548 100644
--- a/Manuscript/QUESTDB.bib
+++ b/Manuscript/QUESTDB.bib
@@ -1,16040 +1,16226 @@
 %% This BibTeX bibliography file was created using BibDesk.
 %% http://bibdesk.sourceforge.net/
 
-%% Created for Pierre-Francois Loos at 2020-11-04 21:18:12 +0100 
+%% Created for Pierre-Francois Loos at 2020-11-18 16:27:55 +0100 
 
 
 %% Saved with string encoding Unicode (UTF-8) 
 
 
 
+@article{Adamo_2013,
+	author = {Adamo, C. and Jacquemin, D.},
+	date-added = {2020-11-18 16:26:09 +0100},
+	date-modified = {2020-11-18 16:26:23 +0100},
+	journal = {Chem. Soc. Rev.},
+	pages = {845--856},
+	title = {The calculations of Excited-State Properties with Time-Dependent Density Functional Theory},
+	volume = {42},
+	year = {2013}}
+
+@article{Laurent_2013,
+	author = {Laurent, Ad{\`e}le D. and Jacquemin, Denis},
+	date-added = {2020-11-18 16:24:56 +0100},
+	date-modified = {2020-11-18 16:25:03 +0100},
+	journal = {Int. J. Quantum Chem.},
+	owner = {chibani-s},
+	pages = {2019--2039},
+	timestamp = {2013.04.29},
+	title = {TD-DFT Benchmarks: A Review},
+	volume = {113},
+	year = {2013}}
+
+@article{Sneskov_2012,
+	abstract = {Abstract We review coupled cluster (CC) theory for electronically excited states. We outline the basics of a CC response theory framework that allows the transfer of the attractive accuracy and convergence properties associated with CC methods over to the calculation of electronic excitation energies and properties. Key factors affecting the accuracy of CC excitation energy calculations are discussed as are some of the key CC models in this field. To aid both the practitioner as well as the developer of CC excited state methods, we also briefly discuss the key computational steps in a working CC response implementation. Approaches aimed at extending the application range of CC excited state methods either in terms of molecular size and phenomena or in terms of environment (solution and proteins) are also discussed. {\copyright} 2011 John Wiley \& Sons, Ltd. This article is categorized under: Electronic Structure Theory > Ab Initio Electronic Structure Methods},
+	author = {Sneskov, Kristian and Christiansen, Ove},
+	date-added = {2020-11-18 16:24:22 +0100},
+	date-modified = {2020-11-18 16:24:29 +0100},
+	doi = {https://doi.org/10.1002/wcms.99},
+	eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.99},
+	journal = {WIREs Comput. Mol. Sci.},
+	number = {4},
+	pages = {566--584},
+	title = {Excited State Coupled Cluster Methods},
+	url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/wcms.99},
+	volume = {2},
+	year = {2012},
+	Bdsk-Url-1 = {https://onlinelibrary.wiley.com/doi/abs/10.1002/wcms.99},
+	Bdsk-Url-2 = {https://doi.org/10.1002/wcms.99}}
+
+@article{Hirata_2004,
+	author = {Hirata, S.},
+	date-added = {2020-11-18 08:51:06 +0100},
+	date-modified = {2020-11-18 08:51:14 +0100},
+	journal = JCP,
+	pages = {51--59},
+	title = {Higher-Order Equation-of-Motion Coupled-Cluster Methods},
+	volume = 121,
+	year = 2004}
+
+@article{Kallay_2003,
+	author = {K{\'a}llay,Mih{\'a}ly and Gauss,J{\"u}rgen and Szalay,P{\'e}ter G.},
+	date-added = {2020-11-18 08:50:40 +0100},
+	date-modified = {2020-11-18 08:50:48 +0100},
+	doi = {10.1063/1.1589003},
+	eprint = {https://doi.org/10.1063/1.1589003},
+	journal = {J. Chem. Phys.},
+	number = {6},
+	pages = {2991--3004},
+	title = {Analytic First Derivatives for General Coupled-Cluster and Configuration Interaction Models},
+	url = {https://doi.org/10.1063/1.1589003},
+	volume = {119},
+	year = {2003},
+	Bdsk-Url-1 = {https://doi.org/10.1063/1.1589003}}
+
+@article{Kowalski_2001,
+	author = {Kowalski, K. and Piecuch, P.},
+	date-added = {2020-11-18 08:49:36 +0100},
+	date-modified = {2020-11-18 08:49:44 +0100},
+	journal = {J. Chem. Phys.},
+	pages = {643--651},
+	title = {The Active-Space Equation-of-Motion Coupled-Cluster Methods for Excited Electronic States: Full EOMCCSDt},
+	volume = {115},
+	year = {2001}}
+
+@article{Kucharski_2001,
+	author = {Stanis{\l}aw A. Kucharski and Marta W{\l}och and Monika Musia{\l} and Rodney J. Bartlett},
+	date-added = {2020-11-18 08:49:13 +0100},
+	date-modified = {2020-11-18 08:49:21 +0100},
+	doi = {10.1063/1.1416173},
+	eprint = {https://doi.org/10.1063/1.1416173},
+	journal = {J. Chem. Phys.},
+	number = {18},
+	pages = {8263-8266},
+	title = {Coupled-Cluster Theory for Excited Electronic States: The Full Equation-Of-Motion Coupled-Cluster Single, Double, and Triple Excitation Method},
+	url = {https://doi.org/10.1063/1.1416173},
+	volume = {115},
+	year = {2001},
+	Bdsk-Url-1 = {https://doi.org/10.1063/1.1416173}}
+
+@article{Christiansen_1998b,
+	abstract = {Abstract It is demonstrated that frequency-dependent response functions can conveniently be derived from the time-averaged quasienergy. The variational criteria for the quasienergy determines the time-evolution of the wave-function parameters and the time-averaged time-dependent Hellmann--Feynman theorem allows an identification of response functions as derivatives of the quasienergy. The quasienergy therefore plays the same role as the usual energy in time-independent theory, and the same techniques can be used to obtain computationally tractable expressions for response properties, as for energy derivatives in time-independent theory. This includes the use of the variational Lagrangian technique for obtaining expressions for molecular properties in accord with the 2n+1 and 2n+2 rules. The derivation of frequency-dependent response properties becomes a simple extension of variational perturbation theory to a Fourier component variational perturbation theory. The generality and simplicity of this approach are illustrated by derivation of linear and higher-order response functions for both exact and approximate wave functions and for both variational and nonvariational wave functions. Examples of approximate models discussed in this article are coupled-cluster, self-consistent field, and second-order M{\o}ller--Plesset perturbation theory. A discussion of symmetry properties of the response functions and their relation to molecular properties is also given, with special attention to the calculation of transition- and excited-state properties. {\copyright} 1998 John Wiley \& Sons, Inc. Int J Quant Chem 68: 1--52, 1998},
+	author = {Christiansen, Ove and J{\o}rgensen, Poul and H\"attig, Christof},
+	date-added = {2020-11-18 08:47:43 +0100},
+	date-modified = {2020-11-18 08:47:54 +0100},
+	doi = {10.1002/(SICI)1097-461X(1998)68:1<1::AID-QUA1>3.0.CO;2-Z},
+	eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/%28SICI%291097-461X%281998%2968%3A1%3C1%3A%3AAID-QUA1%3E3.0.CO%3B2-Z},
+	journal = {Int. J. Quantum Chem.},
+	number = {1},
+	pages = {1--52},
+	title = {Response Functions from Fourier Component Variational Perturbation Theory Applied to a Time-Averaged Quasienergy},
+	url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/%28SICI%291097-461X%281998%2968%3A1%3C1%3A%3AAID-QUA1%3E3.0.CO%3B2-Z},
+	volume = {68},
+	year = {1998},
+	Bdsk-Url-1 = {https://onlinelibrary.wiley.com/doi/abs/10.1002/%28SICI%291097-461X%281998%2968%3A1%3C1%3A%3AAID-QUA1%3E3.0.CO%3B2-Z},
+	Bdsk-Url-2 = {https://doi.org/10.1002/(SICI)1097-461X(1998)68:1%3C1::AID-QUA1%3E3.0.CO;2-Z}}
+
+@article{Goerigk_2010,
+	author = {Goerigk, Lars and Grimme, Stefan},
+	date-added = {2020-11-18 08:38:22 +0100},
+	date-modified = {2020-11-18 08:41:51 +0100},
+	doi = {10.1021/ct900489g},
+	eprint = {https://doi.org/10.1021/ct900489g},
+	journal = {J. Chem. Theory Comput.},
+	note = {PMID: 26614324},
+	number = {1},
+	pages = {107-126},
+	title = {A General Database for Main Group Thermochemistry, Kinetics, and Noncovalent Interactions -- Assessment of Common and Reparameterized (meta-)GGA Density Functionals},
+	url = {https://doi.org/10.1021/ct900489g},
+	volume = {6},
+	year = {2010},
+	Bdsk-Url-1 = {https://doi.org/10.1021/ct900489g}}
+
+@article{Goerigk_2011b,
+	author = {Goerigk, Lars and Grimme, Stefan},
+	date-added = {2020-11-18 08:37:54 +0100},
+	date-modified = {2020-11-18 08:38:08 +0100},
+	doi = {10.1021/ct100466k},
+	eprint = {https://doi.org/10.1021/ct100466k},
+	journal = {J. Chem. Theory Comput.},
+	note = {PMID: 26596152},
+	number = {2},
+	pages = {291-309},
+	title = {Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals---Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions},
+	url = {https://doi.org/10.1021/ct100466k},
+	volume = {7},
+	year = {2011},
+	Bdsk-Url-1 = {https://doi.org/10.1021/ct100466k}}
+
+@article{Goerigk_2011a,
+	abstract = {A thorough energy benchmark study of various density functionals (DFs) is carried out with the new GMTKN30 database for general main group thermochemistry{,} kinetics and noncovalent interactions [Goerigk and Grimme{,} J. Chem. Theor. Comput.{,} 2010{,} 6{,} 107; Goerigk and Grimme{,} J. Chem. Theor. Comput.{,} 2011{,} 7{,} 291]. In total{,} 47 DFs are investigated: two LDAs{,} 14 GGAs{,} three meta-GGAs{,} 23 hybrids and five double-hybrids. Besides the double-hybrids{,} also other modern approaches{,} i.e.{,} the M05 and M06 classes of functionals and range-separated hybrids{,} are tested. For almost all functionals{,} the new DFT-D3 correction is applied in order to consistently test the performance also for important noncovalent interactions; the parameters are taken from previous works or determined for the present study. Basis set and quadrature grid issues are also considered. The general aim of the study is to work out which functionals are generally well applicable and robust to describe the energies of molecules. In summary{,} we recommend on the GGA level the B97-D3 and revPBE-D3 functionals. The best meta-GGA is oTPSS-D3 although meta-GGAs represent in general no clear improvement compared to numerically simpler GGAs. Notably{,} the widely used B3LYP functional performs worse than the average of all tested hybrids and is also very sensitive to the application of dispersion corrections. We discourage its usage as a standard method without closer inspection of the results{,} as it still seems to be often done nowadays. Surprisingly{,} long-range corrected exchange functionals do in general not perform better than the corresponding standard hybrids. However{,} the ωB97X-D functional seems to be a promising method. The most robust hybrid is Zhao and Truhlar{'}s PW6B95 functional in combination with DFT-D3. If higher accuracy is required{,} double-hybrids should be applied. The corresponding DSD-BLYP-D3 and PWPB95-D3 variants are the most accurate and robust functionals of the entire study. Additional calculations with MP2 and and its spin-scaled variants SCS-MP2{,} S2-MP2 and SOS-MP2 revealed that double-hybrids in general outperform those. Only SCS-MP2 can be recommended{,} particularly for reaction energies. We suggest its usage when a large self-interaction error is expected that prohibits usage of double-hybrids. Perdews{'} metaphoric picture of Jacob{'}s Ladder for the classification of density functionals{'} performance could unbiasedly be confirmed with GMTKN30. We also show that there is no statistical correlation between a functional{'}s accuracy for atomization energies and the performance for chemically more relevant reaction energies.},
+	author = {Goerigk, Lars and Grimme, Stefan},
+	date-added = {2020-11-18 08:37:33 +0100},
+	date-modified = {2020-11-18 08:38:11 +0100},
+	doi = {10.1039/C0CP02984J},
+	issue = {14},
+	journal = {Phys. Chem. Chem. Phys.},
+	pages = {6670-6688},
+	publisher = {The Royal Society of Chemistry},
+	title = {A thorough benchmark of density functional methods for general main group thermochemistry{,} kinetics{,} and noncovalent interactions},
+	url = {http://dx.doi.org/10.1039/C0CP02984J},
+	volume = {13},
+	year = {2011},
+	Bdsk-Url-1 = {http://dx.doi.org/10.1039/C0CP02984J}}
+
+@article{Monkhorst_1977,
+	abstract = {Abstract The cluster-expansion approach to the correlation problem, pioneered by Cocster, K{\"u}mmel, Cizek and Paldus, is extended to calculation of static and dynamic properties of many-fermion systems. Linear, inhomogeneous equations are obtained for properties of any order. A time-dependent formulation gives frequency-dependent properties, yielding excitation energies, transition probabilities, and (possibly) life times reminiscent of Green's function methods.},
+	author = {Monkhorst, Hendrik J.},
+	date-added = {2020-11-09 13:46:53 +0100},
+	date-modified = {2020-11-09 13:47:02 +0100},
+	doi = {https://doi.org/10.1002/qua.560120850},
+	eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.560120850},
+	journal = {International Journal of Quantum Chemistry},
+	number = {S11},
+	pages = {421-432},
+	title = {Calculation of properties with the coupled-cluster method},
+	url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.560120850},
+	volume = {12},
+	year = {1977},
+	Bdsk-Url-1 = {https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.560120850},
+	Bdsk-Url-2 = {https://doi.org/10.1002/qua.560120850}}
+
+@article{Trofimo_1999,
+	author = {Trofimov,A. B. and Stelter,G. and Schirmer,J.},
+	date-added = {2020-11-09 09:11:45 +0100},
+	date-modified = {2020-11-09 09:11:53 +0100},
+	doi = {10.1063/1.480352},
+	eprint = {https://doi.org/10.1063/1.480352},
+	journal = {The Journal of Chemical Physics},
+	number = {22},
+	pages = {9982-9999},
+	title = {A consistent third-order propagator method for electronic excitation},
+	url = {https://doi.org/10.1063/1.480352},
+	volume = {111},
+	year = {1999},
+	Bdsk-Url-1 = {https://doi.org/10.1063/1.480352}}
+
 @misc{Eriksen_2021,
-	Archiveprefix = {arXiv},
-	Author = {Janus J. Eriksen},
-	Date-Added = {2020-11-04 21:15:49 +0100},
-	Date-Modified = {2020-11-04 21:15:58 +0100},
-	Eprint = {2010.12304},
-	Primaryclass = {physics.chem-ph},
-	Title = {The Shape of FCI to Come},
-	Year = {2020}}
+	archiveprefix = {arXiv},
+	author = {Janus J. Eriksen},
+	date-added = {2020-11-04 21:15:49 +0100},
+	date-modified = {2020-11-04 21:15:58 +0100},
+	eprint = {2010.12304},
+	primaryclass = {physics.chem-ph},
+	title = {The Shape of FCI to Come},
+	year = {2020}}
 
 @article{Scemama_2020,
-	Author = {Scemama,Anthony and Giner,Emmanuel and Benali,Anouar and Loos,Pierre-Fran{\c c}ois},
-	Date-Added = {2020-11-04 21:14:14 +0100},
-	Date-Modified = {2020-11-04 21:14:34 +0100},
-	Doi = {10.1063/5.0026324},
-	Eprint = {https://doi.org/10.1063/5.0026324},
-	Journal = {The Journal of Chemical Physics},
-	Number = {17},
-	Pages = {174107},
-	Title = {Taming the fixed-node error in diffusion Monte Carlo via range separation},
-	Url = {https://doi.org/10.1063/5.0026324},
-	Volume = {153},
-	Year = {2020},
+	author = {Scemama,Anthony and Giner,Emmanuel and Benali,Anouar and Loos,Pierre-Fran{\c c}ois},
+	date-added = {2020-11-04 21:14:14 +0100},
+	date-modified = {2020-11-04 21:14:34 +0100},
+	doi = {10.1063/5.0026324},
+	eprint = {https://doi.org/10.1063/5.0026324},
+	journal = {The Journal of Chemical Physics},
+	number = {17},
+	pages = {174107},
+	title = {Taming the fixed-node error in diffusion Monte Carlo via range separation},
+	url = {https://doi.org/10.1063/5.0026324},
+	volume = {153},
+	year = {2020},
 	Bdsk-Url-1 = {https://doi.org/10.1063/5.0026324}}
 
 @article{Loos_2020f,
-	Author = {Loos,Pierre-Fran{\c c}ois and Damour,Yann and Scemama,Anthony},
-	Date-Added = {2020-11-04 21:14:08 +0100},
-	Date-Modified = {2020-11-04 21:14:48 +0100},
-	Doi = {10.1063/5.0027617},
-	Eprint = {https://doi.org/10.1063/5.0027617},
-	Journal = {The Journal of Chemical Physics},
-	Number = {17},
-	Pages = {176101},
-	Title = {The performance of CIPSI on the ground state electronic energy of benzene},
-	Url = {https://doi.org/10.1063/5.0027617},
-	Volume = {153},
-	Year = {2020},
+	author = {Loos,Pierre-Fran{\c c}ois and Damour,Yann and Scemama,Anthony},
+	date-added = {2020-11-04 21:14:08 +0100},
+	date-modified = {2020-11-04 21:14:48 +0100},
+	doi = {10.1063/5.0027617},
+	eprint = {https://doi.org/10.1063/5.0027617},
+	journal = {The Journal of Chemical Physics},
+	number = {17},
+	pages = {176101},
+	title = {The performance of CIPSI on the ground state electronic energy of benzene},
+	url = {https://doi.org/10.1063/5.0027617},
+	volume = {153},
+	year = {2020},
 	Bdsk-Url-1 = {https://doi.org/10.1063/5.0027617}}
 
 @article{Chrayteh_2021,
-	Author = {A. Chrayte and A. Blondel and P. F. Loos and D. Jacquemin},
-	Date-Added = {2020-11-04 21:07:34 +0100},
-	Date-Modified = {2020-11-04 21:07:34 +0100},
-	Journal = {J. Chem. Theory Comput.},
-	Title = {A mountaineering strategy to excited states: highly-accurate oscillator strengths and dipole moments of small molecules},
-	Year = {submitted}}
+	author = {A. Chrayte and A. Blondel and P. F. Loos and D. Jacquemin},
+	date-added = {2020-11-04 21:07:34 +0100},
+	date-modified = {2020-11-04 21:07:34 +0100},
+	journal = {J. Chem. Theory Comput.},
+	title = {A mountaineering strategy to excited states: highly-accurate oscillator strengths and dipole moments of small molecules},
+	year = {submitted}}
 
 @article{Rowe_1968,
-	Author = {ROWE, D. J.},
-	Date-Added = {2020-11-04 16:29:58 +0100},
-	Date-Modified = {2020-11-04 16:30:08 +0100},
-	Doi = {10.1103/RevModPhys.40.153},
-	Issue = {1},
-	Journal = {Rev. Mod. Phys.},
-	Month = {Jan},
-	Numpages = {0},
-	Pages = {153--166},
-	Publisher = {American Physical Society},
-	Title = {Equations-of-Motion Method and the Extended Shell Model},
-	Url = {https://link.aps.org/doi/10.1103/RevModPhys.40.153},
-	Volume = {40},
-	Year = {1968},
+	author = {ROWE, D. J.},
+	date-added = {2020-11-04 16:29:58 +0100},
+	date-modified = {2020-11-04 16:30:08 +0100},
+	doi = {10.1103/RevModPhys.40.153},
+	issue = {1},
+	journal = {Rev. Mod. Phys.},
+	month = {Jan},
+	numpages = {0},
+	pages = {153--166},
+	publisher = {American Physical Society},
+	title = {Equations-of-Motion Method and the Extended Shell Model},
+	url = {https://link.aps.org/doi/10.1103/RevModPhys.40.153},
+	volume = {40},
+	year = {1968},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/RevModPhys.40.153},
 	Bdsk-Url-2 = {https://doi.org/10.1103/RevModPhys.40.153}}
 
 @article{Blase_2020,
-	Author = {X. Blase and I. Duchemin and D. Jacquemin and P. F. Loos},
-	Date-Added = {2020-11-04 16:27:28 +0100},
-	Date-Modified = {2020-11-04 16:27:28 +0100},
-	Doi = {10.1021/acs.jpclett.0c01875},
-	Journal = {J. Phys. Chem. Lett.},
-	Pages = {7371},
-	Title = {The Bethe-Salpeter Formalism: From Physics to Chemistry},
-	Volume = {11},
-	Year = {2020},
+	author = {X. Blase and I. Duchemin and D. Jacquemin and P. F. Loos},
+	date-added = {2020-11-04 16:27:28 +0100},
+	date-modified = {2020-11-04 16:27:28 +0100},
+	doi = {10.1021/acs.jpclett.0c01875},
+	journal = {J. Phys. Chem. Lett.},
+	pages = {7371},
+	title = {The Bethe-Salpeter Formalism: From Physics to Chemistry},
+	volume = {11},
+	year = {2020},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.0c01875}}
 
 @article{Krylov_2006,
-	Author = {Krylov, Anna I.},
-	Date-Added = {2020-11-04 16:23:34 +0100},
-	Date-Modified = {2020-11-04 16:23:44 +0100},
-	Doi = {10.1021/ar0402006},
-	Eprint = {https://doi.org/10.1021/ar0402006},
-	Journal = {Accounts of Chemical Research},
-	Note = {PMID: 16489727},
-	Number = {2},
-	Pages = {83-91},
-	Title = {Spin-Flip Equation-of-Motion Coupled-Cluster Electronic Structure Method for a Description of Excited States, Bond Breaking, Diradicals, and Triradicals},
-	Url = {https://doi.org/10.1021/ar0402006},
-	Volume = {39},
-	Year = {2006},
+	author = {Krylov, Anna I.},
+	date-added = {2020-11-04 16:23:34 +0100},
+	date-modified = {2020-11-04 16:23:44 +0100},
+	doi = {10.1021/ar0402006},
+	eprint = {https://doi.org/10.1021/ar0402006},
+	journal = {Accounts of Chemical Research},
+	note = {PMID: 16489727},
+	number = {2},
+	pages = {83-91},
+	title = {Spin-Flip Equation-of-Motion Coupled-Cluster Electronic Structure Method for a Description of Excited States, Bond Breaking, Diradicals, and Triradicals},
+	url = {https://doi.org/10.1021/ar0402006},
+	volume = {39},
+	year = {2006},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ar0402006}}
 
 @article{Piecuch_2002,
-	Author = {Piotr Piecuch and Karol Kowalski and Ian S. O. Pimienta and Michael J. Mcguire},
-	Date-Added = {2020-11-04 16:22:51 +0100},
-	Date-Modified = {2020-11-04 16:22:58 +0100},
-	Doi = {10.1080/0144235021000053811},
-	Eprint = {https://doi.org/10.1080/0144235021000053811},
-	Journal = {International Reviews in Physical Chemistry},
-	Number = {4},
-	Pages = {527-655},
-	Publisher = {Taylor & Francis},
-	Title = {Recent advances in electronic structure theory: Method of moments of coupled-cluster equations and renormalized coupled-cluster approaches},
-	Url = {https://doi.org/10.1080/0144235021000053811},
-	Volume = {21},
-	Year = {2002},
+	author = {Piotr Piecuch and Karol Kowalski and Ian S. O. Pimienta and Michael J. Mcguire},
+	date-added = {2020-11-04 16:22:51 +0100},
+	date-modified = {2020-11-04 16:22:58 +0100},
+	doi = {10.1080/0144235021000053811},
+	eprint = {https://doi.org/10.1080/0144235021000053811},
+	journal = {International Reviews in Physical Chemistry},
+	number = {4},
+	pages = {527-655},
+	publisher = {Taylor & Francis},
+	title = {Recent advances in electronic structure theory: Method of moments of coupled-cluster equations and renormalized coupled-cluster approaches},
+	url = {https://doi.org/10.1080/0144235021000053811},
+	volume = {21},
+	year = {2002},
 	Bdsk-Url-1 = {https://doi.org/10.1080/0144235021000053811}}
 
 @article{Dunning_1989a,
-	Author = {Dunning, Thom H.},
-	Date-Added = {2020-10-26 13:47:31 +0100},
-	Date-Modified = {2020-10-26 13:47:31 +0100},
-	Doi = {10.1063/1.456153},
-	Journal = {J. Chem. Phys.},
-	Pages = {1007-1023},
-	Title = {Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen},
-	Volume = {90},
-	Year = {1989},
+	author = {Dunning, Thom H.},
+	date-added = {2020-10-26 13:47:31 +0100},
+	date-modified = {2020-10-26 13:47:31 +0100},
+	doi = {10.1063/1.456153},
+	journal = {J. Chem. Phys.},
+	pages = {1007-1023},
+	title = {Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen},
+	volume = {90},
+	year = {1989},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.456153}}
 
 @article{Kendall_1992a,
-	Author = {Kendall, Rick A. and Dunning, Thom H. and Harrison, Robert J.},
-	Date-Added = {2020-10-26 13:47:31 +0100},
-	Date-Modified = {2020-10-26 13:47:31 +0100},
-	Doi = {10.1063/1.462569},
-	Journal = {J. Chem. Phys.},
-	Pages = {6796-6806},
-	Title = {Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions},
-	Volume = {96},
-	Year = {1992},
+	author = {Kendall, Rick A. and Dunning, Thom H. and Harrison, Robert J.},
+	date-added = {2020-10-26 13:47:31 +0100},
+	date-modified = {2020-10-26 13:47:31 +0100},
+	doi = {10.1063/1.462569},
+	journal = {J. Chem. Phys.},
+	pages = {6796-6806},
+	title = {Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions},
+	volume = {96},
+	year = {1992},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.462569}}
 
 @article{Prascher_2011a,
-	Author = {Prascher, Brian P. and Woon, David E. and Peterson, Kirk A. and Dunning, Thom H. and Wilson, Angela K.},
-	Date-Added = {2020-10-26 13:47:31 +0100},
-	Date-Modified = {2020-10-26 13:47:31 +0100},
-	Doi = {10.1007/s00214-010-0764-0},
-	Journal = {Theor. Chem. Acc.},
-	Pages = {69-82},
-	Title = {Gaussian basis sets for use in correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg},
-	Volume = {128},
-	Year = {2011},
+	author = {Prascher, Brian P. and Woon, David E. and Peterson, Kirk A. and Dunning, Thom H. and Wilson, Angela K.},
+	date-added = {2020-10-26 13:47:31 +0100},
+	date-modified = {2020-10-26 13:47:31 +0100},
+	doi = {10.1007/s00214-010-0764-0},
+	journal = {Theor. Chem. Acc.},
+	pages = {69-82},
+	title = {Gaussian basis sets for use in correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg},
+	volume = {128},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1007/s00214-010-0764-0}}
 
 @article{Woon_1993a,
-	Author = {Woon, David E. and Dunning, Thom H.},
-	Date-Added = {2020-10-26 13:47:31 +0100},
-	Date-Modified = {2020-10-26 13:47:31 +0100},
-	Doi = {10.1063/1.464303},
-	Journal = {J. Chem. Phys.},
-	Pages = {1358-1371},
-	Title = {Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon},
-	Volume = {98},
-	Year = {1993},
+	author = {Woon, David E. and Dunning, Thom H.},
+	date-added = {2020-10-26 13:47:31 +0100},
+	date-modified = {2020-10-26 13:47:31 +0100},
+	doi = {10.1063/1.464303},
+	journal = {J. Chem. Phys.},
+	pages = {1358-1371},
+	title = {Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon},
+	volume = {98},
+	year = {1993},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.464303}}
 
 @article{Woon_1994a,
-	Author = {Woon, David E. and Dunning, Thom H.},
-	Date-Added = {2020-10-26 13:47:31 +0100},
-	Date-Modified = {2020-10-26 13:47:31 +0100},
-	Doi = {10.1063/1.466439},
-	Journal = {J. Chem. Phys.},
-	Pages = {2975-2988},
-	Title = {Gaussian basis sets for use in correlated molecular calculations. IV. Calculation of static electrical response properties},
-	Volume = {100},
-	Year = {1994},
+	author = {Woon, David E. and Dunning, Thom H.},
+	date-added = {2020-10-26 13:47:31 +0100},
+	date-modified = {2020-10-26 13:47:31 +0100},
+	doi = {10.1063/1.466439},
+	journal = {J. Chem. Phys.},
+	pages = {2975-2988},
+	title = {Gaussian basis sets for use in correlated molecular calculations. IV. Calculation of static electrical response properties},
+	volume = {100},
+	year = {1994},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.466439}}
 
 @article{Feller_1996a,
-	Author = {Feller, David},
-	Date-Added = {2020-10-26 13:36:34 +0100},
-	Date-Modified = {2020-10-26 13:36:34 +0100},
-	Doi = {10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P},
-	Journal = {J. Comput. Chem.},
-	Pages = {1571-1586},
-	Title = {The role of databases in support of computational chemistry calculations},
-	Volume = {17},
-	Year = {1996},
+	author = {Feller, David},
+	date-added = {2020-10-26 13:36:34 +0100},
+	date-modified = {2020-10-26 13:36:34 +0100},
+	doi = {10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P},
+	journal = {J. Comput. Chem.},
+	pages = {1571-1586},
+	title = {The role of databases in support of computational chemistry calculations},
+	volume = {17},
+	year = {1996},
 	Bdsk-Url-1 = {https://doi.org/10.1002/(SICI)1096-987X(199610)17:13%3C1571::AID-JCC9%3E3.0.CO;2-P}}
 
 @article{Pritchard_2019a,
-	Author = {Pritchard, Benjamin P. and Altarawy, Doaa and Didier, Brett and Gibsom, Tara D. and Windus, Theresa L.},
-	Date-Added = {2020-10-26 13:36:34 +0100},
-	Date-Modified = {2020-10-26 13:36:34 +0100},
-	Doi = {10.1021/acs.jcim.9b00725},
-	Journal = {J. Chem. Inf. Model.},
-	Pages = {4814-4820},
-	Title = {A New Basis Set Exchange: An Open, Up-to-date Resource for the Molecular Sciences Community},
-	Volume = {59},
-	Year = {2019},
+	author = {Pritchard, Benjamin P. and Altarawy, Doaa and Didier, Brett and Gibsom, Tara D. and Windus, Theresa L.},
+	date-added = {2020-10-26 13:36:34 +0100},
+	date-modified = {2020-10-26 13:36:34 +0100},
+	doi = {10.1021/acs.jcim.9b00725},
+	journal = {J. Chem. Inf. Model.},
+	pages = {4814-4820},
+	title = {A New Basis Set Exchange: An Open, Up-to-date Resource for the Molecular Sciences Community},
+	volume = {59},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jcim.9b00725}}
 
 @article{Schuchardt_2007a,
-	Author = {Schuchardt, Karen L. and Didier, Brett T. and Elsethagen, Todd and Sun, Lisong and Gurumoorthi, Vidhya and Chase, Jared and Li, Jun and Windus, Theresa L.},
-	Date-Added = {2020-10-26 13:36:34 +0100},
-	Date-Modified = {2020-10-26 13:36:34 +0100},
-	Doi = {10.1021/ci600510j},
-	Journal = {J. Chem. Inf. Model.},
-	Pages = {1045-1052},
-	Title = {Basis Set Exchange: A Community Database for Computational Sciences},
-	Volume = {47},
-	Year = {2007},
+	author = {Schuchardt, Karen L. and Didier, Brett T. and Elsethagen, Todd and Sun, Lisong and Gurumoorthi, Vidhya and Chase, Jared and Li, Jun and Windus, Theresa L.},
+	date-added = {2020-10-26 13:36:34 +0100},
+	date-modified = {2020-10-26 13:36:34 +0100},
+	doi = {10.1021/ci600510j},
+	journal = {J. Chem. Inf. Model.},
+	pages = {1045-1052},
+	title = {Basis Set Exchange: A Community Database for Computational Sciences},
+	volume = {47},
+	year = {2007},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ci600510j}}
 
 @article{Binkley_1977a,
-	Author = {Binkley, J. Stephen and Pople, John A.},
-	Date-Added = {2020-10-26 13:35:44 +0100},
-	Date-Modified = {2020-10-26 13:35:44 +0100},
-	Doi = {10.1063/1.433929},
-	Journal = {J. Chem. Phys.},
-	Pages = {879-880},
-	Title = {Self-consistent molecular orbital methods. XIX. Split-valence Gaussian-type basis sets for beryllium},
-	Volume = {66},
-	Year = {1977},
+	author = {Binkley, J. Stephen and Pople, John A.},
+	date-added = {2020-10-26 13:35:44 +0100},
+	date-modified = {2020-10-26 13:35:44 +0100},
+	doi = {10.1063/1.433929},
+	journal = {J. Chem. Phys.},
+	pages = {879-880},
+	title = {Self-consistent molecular orbital methods. XIX. Split-valence Gaussian-type basis sets for beryllium},
+	volume = {66},
+	year = {1977},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.433929}}
 
 @article{Clark_1983a,
-	Author = {Clark, Timothy and Chandrasekhar, Jayaraman and Spitznagel, G{\"u}nther W. and Schleyer, Paul Von Ragu{\'e}},
-	Date-Added = {2020-10-26 13:35:44 +0100},
-	Date-Modified = {2020-10-26 13:35:44 +0100},
-	Doi = {10.1002/jcc.540040303},
-	Journal = {J. Comput. Chem.},
-	Pages = {294-301},
-	Title = {Efficient diffuse function-augmented basis sets for anion calculations. III. The 3-21+G basis set for first-row elements, Li-F},
-	Volume = {4},
-	Year = {1983},
+	author = {Clark, Timothy and Chandrasekhar, Jayaraman and Spitznagel, G{\"u}nther W. and Schleyer, Paul Von Ragu{\'e}},
+	date-added = {2020-10-26 13:35:44 +0100},
+	date-modified = {2020-10-26 13:35:44 +0100},
+	doi = {10.1002/jcc.540040303},
+	journal = {J. Comput. Chem.},
+	pages = {294-301},
+	title = {Efficient diffuse function-augmented basis sets for anion calculations. III. The 3-21+G basis set for first-row elements, Li-F},
+	volume = {4},
+	year = {1983},
 	Bdsk-Url-1 = {https://doi.org/10.1002/jcc.540040303}}
 
 @article{Dill_1975a,
-	Author = {Dill, James D. and Pople, John A.},
-	Date-Added = {2020-10-26 13:35:44 +0100},
-	Date-Modified = {2020-10-26 13:35:44 +0100},
-	Doi = {10.1063/1.430801},
-	Journal = {J. Chem. Phys.},
-	Pages = {2921-2923},
-	Title = {Self-consistent molecular orbital methods. XV. Extended Gaussian-type basis sets for lithium, beryllium, and boron},
-	Volume = {62},
-	Year = {1975},
+	author = {Dill, James D. and Pople, John A.},
+	date-added = {2020-10-26 13:35:44 +0100},
+	date-modified = {2020-10-26 13:35:44 +0100},
+	doi = {10.1063/1.430801},
+	journal = {J. Chem. Phys.},
+	pages = {2921-2923},
+	title = {Self-consistent molecular orbital methods. XV. Extended Gaussian-type basis sets for lithium, beryllium, and boron},
+	volume = {62},
+	year = {1975},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.430801}}
 
 @article{Ditchfield_1971a,
-	Author = {Ditchfield, R. and Hehre, W. J. and Pople, J. A.},
-	Date-Added = {2020-10-26 13:35:44 +0100},
-	Date-Modified = {2020-10-26 13:35:44 +0100},
-	Doi = {10.1063/1.1674902},
-	Journal = {J. Chem. Phys.},
-	Pages = {724-728},
-	Title = {Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules},
-	Volume = {54},
-	Year = {1971},
+	author = {Ditchfield, R. and Hehre, W. J. and Pople, J. A.},
+	date-added = {2020-10-26 13:35:44 +0100},
+	date-modified = {2020-10-26 13:35:44 +0100},
+	doi = {10.1063/1.1674902},
+	journal = {J. Chem. Phys.},
+	pages = {724-728},
+	title = {Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules},
+	volume = {54},
+	year = {1971},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1674902}}
 
 @article{Francl_1982a,
-	Author = {Francl, Michelle M. and Pietro, William J. and Hehre, Warren J. and Binkley, J. Stephen and Gordon, Mark S. and DeFrees, Douglas J. and Pople, John A.},
-	Date-Added = {2020-10-26 13:35:44 +0100},
-	Date-Modified = {2020-10-26 13:35:44 +0100},
-	Doi = {10.1063/1.444267},
-	Journal = {J. Chem. Phys.},
-	Pages = {3654-3665},
-	Title = {Self-consistent molecular orbital methods. XXIII. A polarization-type basis set for second-row elements},
-	Volume = {77},
-	Year = {1982},
+	author = {Francl, Michelle M. and Pietro, William J. and Hehre, Warren J. and Binkley, J. Stephen and Gordon, Mark S. and DeFrees, Douglas J. and Pople, John A.},
+	date-added = {2020-10-26 13:35:44 +0100},
+	date-modified = {2020-10-26 13:35:44 +0100},
+	doi = {10.1063/1.444267},
+	journal = {J. Chem. Phys.},
+	pages = {3654-3665},
+	title = {Self-consistent molecular orbital methods. XXIII. A polarization-type basis set for second-row elements},
+	volume = {77},
+	year = {1982},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.444267}}
 
 @article{Gill_1992a,
-	Author = {Gill, Peter M. W. and Johnson, Benny G. and Pople, John A. and Frisch, Michael J.},
-	Date-Added = {2020-10-26 13:35:44 +0100},
-	Date-Modified = {2020-10-26 13:35:44 +0100},
-	Doi = {10.1016/0009-2614(92)85807-m},
-	Journal = {Chem. Phys. Lett.},
-	Pages = {499-505},
-	Title = {The performance of the Becke-Lee-Yang-Parr (B-LYP) density functional theory with various basis sets},
-	Volume = {197},
-	Year = {1992},
+	author = {Gill, Peter M. W. and Johnson, Benny G. and Pople, John A. and Frisch, Michael J.},
+	date-added = {2020-10-26 13:35:44 +0100},
+	date-modified = {2020-10-26 13:35:44 +0100},
+	doi = {10.1016/0009-2614(92)85807-m},
+	journal = {Chem. Phys. Lett.},
+	pages = {499-505},
+	title = {The performance of the Becke-Lee-Yang-Parr (B-LYP) density functional theory with various basis sets},
+	volume = {197},
+	year = {1992},
 	Bdsk-Url-1 = {https://doi.org/10.1016/0009-2614(92)85807-m}}
 
 @article{Gordon_1982a,
-	Author = {Gordon, Mark S. and Binkley, J. Stephen and Pople, John A. and Pietro, William J. and Hehre, Warren J.},
-	Date-Added = {2020-10-26 13:35:44 +0100},
-	Date-Modified = {2020-10-26 13:35:44 +0100},
-	Doi = {10.1021/ja00374a017},
-	Journal = {J. Am. Chem. Soc.},
-	Pages = {2797-2803},
-	Title = {Self-consistent molecular-orbital methods. 22. Small split-valence basis sets for second-row elements},
-	Volume = {104},
-	Year = {1982},
+	author = {Gordon, Mark S. and Binkley, J. Stephen and Pople, John A. and Pietro, William J. and Hehre, Warren J.},
+	date-added = {2020-10-26 13:35:44 +0100},
+	date-modified = {2020-10-26 13:35:44 +0100},
+	doi = {10.1021/ja00374a017},
+	journal = {J. Am. Chem. Soc.},
+	pages = {2797-2803},
+	title = {Self-consistent molecular-orbital methods. 22. Small split-valence basis sets for second-row elements},
+	volume = {104},
+	year = {1982},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ja00374a017}}
 
 @article{Hariharan_1973a,
-	Author = {Hariharan, P. C. and Pople, J. A.},
-	Date-Added = {2020-10-26 13:35:44 +0100},
-	Date-Modified = {2020-10-26 13:35:44 +0100},
-	Doi = {10.1007/bf00533485},
-	Journal = {Theor. Chim. Acta},
-	Pages = {213-222},
-	Title = {The influence of polarization functions on molecular orbital hydrogenation energies},
-	Volume = {28},
-	Year = {1973},
+	author = {Hariharan, P. C. and Pople, J. A.},
+	date-added = {2020-10-26 13:35:44 +0100},
+	date-modified = {2020-10-26 13:35:44 +0100},
+	doi = {10.1007/bf00533485},
+	journal = {Theor. Chim. Acta},
+	pages = {213-222},
+	title = {The influence of polarization functions on molecular orbital hydrogenation energies},
+	volume = {28},
+	year = {1973},
 	Bdsk-Url-1 = {https://doi.org/10.1007/bf00533485}}
 
 @article{Hehre_1972a,
-	Author = {Hehre, W. J. and Ditchfield, R. and Pople, J. A.},
-	Date-Added = {2020-10-26 13:35:44 +0100},
-	Date-Modified = {2020-10-26 13:35:44 +0100},
-	Doi = {10.1063/1.1677527},
-	Journal = {J. Chem. Phys.},
-	Pages = {2257-2261},
-	Title = {Self-Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian-Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules},
-	Volume = {56},
-	Year = {1972},
+	author = {Hehre, W. J. and Ditchfield, R. and Pople, J. A.},
+	date-added = {2020-10-26 13:35:44 +0100},
+	date-modified = {2020-10-26 13:35:44 +0100},
+	doi = {10.1063/1.1677527},
+	journal = {J. Chem. Phys.},
+	pages = {2257-2261},
+	title = {Self-Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian-Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules},
+	volume = {56},
+	year = {1972},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1677527}}
 
 @article{Spitznagel_1987a,
-	Author = {Spitznagel, G{\"u}nther W. and Clark, Timothy and Schleyer, Paul von Ragu{\'e} and Hehre, Warren J.},
-	Date-Added = {2020-10-26 13:35:44 +0100},
-	Date-Modified = {2020-10-26 13:35:44 +0100},
-	Doi = {10.1002/jcc.540080807},
-	Journal = {J. Comput. Chem.},
-	Pages = {1109-1116},
-	Title = {An evaluation of the performance of diffuse function-augmented basis sets for second row elements, Na-Cl},
-	Volume = {8},
-	Year = {1987},
+	author = {Spitznagel, G{\"u}nther W. and Clark, Timothy and Schleyer, Paul von Ragu{\'e} and Hehre, Warren J.},
+	date-added = {2020-10-26 13:35:44 +0100},
+	date-modified = {2020-10-26 13:35:44 +0100},
+	doi = {10.1002/jcc.540080807},
+	journal = {J. Comput. Chem.},
+	pages = {1109-1116},
+	title = {An evaluation of the performance of diffuse function-augmented basis sets for second row elements, Na-Cl},
+	volume = {8},
+	year = {1987},
 	Bdsk-Url-1 = {https://doi.org/10.1002/jcc.540080807}}
 
 @article{Sarkar_2021,
-	Author = {R. Sarkar and M. Boggio-Pasqua and P. F. Loos and D. Jacquemin},
-	Date-Added = {2020-10-26 13:24:43 +0100},
-	Date-Modified = {2020-11-04 21:08:59 +0100},
-	Journal = {J. Chem. Theory Comput.},
-	Title = {Benchmark of TD-DFT and Wavefunction Methods for Oscillator Strengths and Excited-State Dipoles},
-	Year = {submitted}}
+	author = {R. Sarkar and M. Boggio-Pasqua and P. F. Loos and D. Jacquemin},
+	date-added = {2020-10-26 13:24:43 +0100},
+	date-modified = {2020-11-04 21:08:59 +0100},
+	journal = {J. Chem. Theory Comput.},
+	title = {Benchmark of TD-DFT and Wavefunction Methods for Oscillator Strengths and Excited-State Dipoles},
+	year = {submitted}}
 
 @article{Lei_2017,
-	Author = {Yibo Lei and Wenjian Liu and Mark R. Hoffmann},
-	Date-Added = {2020-10-26 13:22:45 +0100},
-	Date-Modified = {2020-10-26 13:22:45 +0100},
-	Doi = {10.1080/00268976.2017.1308029},
-	Journal = {Mol. Phys.},
-	Number = {21-22},
-	Pages = {2696-2707},
-	Title = {Further development of SDSPT2 for strongly correlated electrons},
-	Volume = {115},
-	Year = {2017},
+	author = {Yibo Lei and Wenjian Liu and Mark R. Hoffmann},
+	date-added = {2020-10-26 13:22:45 +0100},
+	date-modified = {2020-10-26 13:22:45 +0100},
+	doi = {10.1080/00268976.2017.1308029},
+	journal = {Mol. Phys.},
+	number = {21-22},
+	pages = {2696-2707},
+	title = {Further development of SDSPT2 for strongly correlated electrons},
+	volume = {115},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1080/00268976.2017.1308029}}
 
 @article{Xu_2018,
-	Author = {Xu, E. and Uejima, M. and Ten-no, S. L.},
-	Date-Added = {2020-10-26 13:14:41 +0100},
-	Date-Modified = {2020-10-26 13:14:41 +0100},
-	Doi = {10.1103/PhysRevLett.121.113001},
-	Journal = {Phys. Rev. Lett.},
-	Pages = {113001},
-	Title = {Full Coupled-Cluster Reduction for Accurate Description of Strong Electron Correlation},
-	Volume = {121},
-	Year = {2018},
+	author = {Xu, E. and Uejima, M. and Ten-no, S. L.},
+	date-added = {2020-10-26 13:14:41 +0100},
+	date-modified = {2020-10-26 13:14:41 +0100},
+	doi = {10.1103/PhysRevLett.121.113001},
+	journal = {Phys. Rev. Lett.},
+	pages = {113001},
+	title = {Full Coupled-Cluster Reduction for Accurate Description of Strong Electron Correlation},
+	volume = {121},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.121.113001}}
 
 @misc{Xu_2020,
-	Archiveprefix = {arXiv},
-	Author = {Enhua Xu and Motoyuki Uejima and Seiichiro L. Ten-no},
-	Date-Added = {2020-10-26 13:14:41 +0100},
-	Date-Modified = {2020-10-26 13:14:41 +0100},
-	Eprint = {2010.01850},
-	Primaryclass = {physics.chem-ph},
-	Title = {Towards near-exact solutions of molecular electronic structure: Full coupled-cluster reduction with a second-order perturbative correction},
-	Year = {2020}}
+	archiveprefix = {arXiv},
+	author = {Enhua Xu and Motoyuki Uejima and Seiichiro L. Ten-no},
+	date-added = {2020-10-26 13:14:41 +0100},
+	date-modified = {2020-10-26 13:14:41 +0100},
+	eprint = {2010.01850},
+	primaryclass = {physics.chem-ph},
+	title = {Towards near-exact solutions of molecular electronic structure: Full coupled-cluster reduction with a second-order perturbative correction},
+	year = {2020}}
 
 @article{Deustua_2017,
-	Author = {Deustua, J. Emiliano and Shen, Jun and Piecuch, Piotr},
-	Date-Added = {2020-10-26 13:12:02 +0100},
-	Date-Modified = {2020-10-26 13:12:02 +0100},
-	Doi = {10.1103/PhysRevLett.119.223003},
-	Journal = {Phys. Rev. Lett.},
-	Pages = {223003},
-	Title = {Converging High-Level Coupled-Cluster Energetics by Monte Carlo Sampling and Moment Expansions},
-	Volume = {119},
-	Year = {2017},
+	author = {Deustua, J. Emiliano and Shen, Jun and Piecuch, Piotr},
+	date-added = {2020-10-26 13:12:02 +0100},
+	date-modified = {2020-10-26 13:12:02 +0100},
+	doi = {10.1103/PhysRevLett.119.223003},
+	journal = {Phys. Rev. Lett.},
+	pages = {223003},
+	title = {Converging High-Level Coupled-Cluster Energetics by Monte Carlo Sampling and Moment Expansions},
+	volume = {119},
+	year = {2017},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.119.223003},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.119.223003}}
 
 @article{Deustua_2018,
-	Author = {Deustua, J. E. and Magoulas, I. and Shen, J. and Piecuch, P.},
-	Date-Added = {2020-10-26 13:12:02 +0100},
-	Date-Modified = {2020-10-26 13:12:07 +0100},
-	Doi = {10.1063/1.5055769},
-	Journal = {J. Chem. Phys.},
-	Pages = {151101},
-	Title = {Communication: Approaching Exact Quantum Chemistry by Cluster Analysis of Full Configuration Interaction Quan- tum Monte Carlo Wave Functions},
-	Volume = {149},
-	Year = {2018},
+	author = {Deustua, J. E. and Magoulas, I. and Shen, J. and Piecuch, P.},
+	date-added = {2020-10-26 13:12:02 +0100},
+	date-modified = {2020-10-26 13:12:07 +0100},
+	doi = {10.1063/1.5055769},
+	journal = {J. Chem. Phys.},
+	pages = {151101},
+	title = {Communication: Approaching Exact Quantum Chemistry by Cluster Analysis of Full Configuration Interaction Quan- tum Monte Carlo Wave Functions},
+	volume = {149},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.5055769}}
 
 @article{Booth_2010,
-	Author = {George H. Booth and Ali Alavi},
-	Date-Added = {2020-10-26 13:09:18 +0100},
-	Date-Modified = {2020-10-26 13:09:18 +0100},
-	Doi = {10.1063/1.3407895},
-	Journal = {J. Chem. Phys.},
-	Month = {may},
-	Number = {17},
-	Pages = {174104},
-	Publisher = {{AIP} Publishing},
-	Title = {Approaching chemical accuracy using full configuration-interaction quantum Monte Carlo: A study of ionization potentials},
-	Url = {https://doi.org/10.1063%2F1.3407895},
-	Volume = {132},
-	Year = 2010,
+	author = {George H. Booth and Ali Alavi},
+	date-added = {2020-10-26 13:09:18 +0100},
+	date-modified = {2020-10-26 13:09:18 +0100},
+	doi = {10.1063/1.3407895},
+	journal = {J. Chem. Phys.},
+	month = {may},
+	number = {17},
+	pages = {174104},
+	publisher = {{AIP} Publishing},
+	title = {Approaching chemical accuracy using full configuration-interaction quantum Monte Carlo: A study of ionization potentials},
+	url = {https://doi.org/10.1063%2F1.3407895},
+	volume = {132},
+	year = 2010,
 	Bdsk-Url-1 = {https://doi.org/10.1063%2F1.3407895},
 	Bdsk-Url-2 = {https://doi.org/10.1063/1.3407895}}
 
 @article{Cleland_2010,
-	Author = {Deidre Cleland and George H. Booth and Ali Alavi},
-	Date-Added = {2020-10-26 13:09:07 +0100},
-	Date-Modified = {2020-10-26 13:09:07 +0100},
-	Doi = {10.1063/1.3302277},
-	Journal = {J. Chem. Phys.},
-	Month = {jan},
-	Number = {4},
-	Pages = {041103},
-	Publisher = {{AIP} Publishing},
-	Title = {Communications: Survival of the fittest: Accelerating convergence in full configuration-interaction quantum Monte Carlo},
-	Url = {https://doi.org/10.1063%2F1.3302277},
-	Volume = {132},
-	Year = 2010,
+	author = {Deidre Cleland and George H. Booth and Ali Alavi},
+	date-added = {2020-10-26 13:09:07 +0100},
+	date-modified = {2020-10-26 13:09:07 +0100},
+	doi = {10.1063/1.3302277},
+	journal = {J. Chem. Phys.},
+	month = {jan},
+	number = {4},
+	pages = {041103},
+	publisher = {{AIP} Publishing},
+	title = {Communications: Survival of the fittest: Accelerating convergence in full configuration-interaction quantum Monte Carlo},
+	url = {https://doi.org/10.1063%2F1.3302277},
+	volume = {132},
+	year = 2010,
 	Bdsk-Url-1 = {https://doi.org/10.1063%2F1.3302277},
 	Bdsk-Url-2 = {https://doi.org/10.1063/1.3302277}}
 
 @article{Ghanem_2019,
-	Author = {Ghanem, K. and Lozovoi, A. Y. and Alavi, A.},
-	Date-Added = {2020-10-26 13:08:34 +0100},
-	Date-Modified = {2020-10-26 13:08:34 +0100},
-	Doi = {10.1063/1.5134006},
-	Journal = {J. Chem. Phys.},
-	Pages = {224108},
-	Title = {Unbiasing the Initiator Approximation in Full Configuration Interaction Quantum Monte Carlo},
-	Volume = {151},
-	Year = {2019},
+	author = {Ghanem, K. and Lozovoi, A. Y. and Alavi, A.},
+	date-added = {2020-10-26 13:08:34 +0100},
+	date-modified = {2020-10-26 13:08:34 +0100},
+	doi = {10.1063/1.5134006},
+	journal = {J. Chem. Phys.},
+	pages = {224108},
+	title = {Unbiasing the Initiator Approximation in Full Configuration Interaction Quantum Monte Carlo},
+	volume = {151},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.5134006}}
 
 @article{Eriksen_2017,
-	Author = {J. J. Eriksen and F. Lipparini and J. Gauss},
-	Date-Added = {2020-10-26 13:05:28 +0100},
-	Date-Modified = {2020-10-26 13:05:28 +0100},
-	Doi = {10.1021/acs.jpclett.7b02075},
-	Journal = {J. Phys. Chem. Lett.},
-	Pages = {4633--4639},
-	Title = {Virtual Orbital Many-Body Expansions: A Possible Route towards the Full Configuration Interaction Limit},
-	Volume = {8},
-	Year = {2017},
+	author = {J. J. Eriksen and F. Lipparini and J. Gauss},
+	date-added = {2020-10-26 13:05:28 +0100},
+	date-modified = {2020-10-26 13:05:28 +0100},
+	doi = {10.1021/acs.jpclett.7b02075},
+	journal = {J. Phys. Chem. Lett.},
+	pages = {4633--4639},
+	title = {Virtual Orbital Many-Body Expansions: A Possible Route towards the Full Configuration Interaction Limit},
+	volume = {8},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.7b02075}}
 
 @article{Eriksen_2018,
-	Author = {J. J. Eriksen and J. Gauss},
-	Date-Added = {2020-10-26 13:05:28 +0100},
-	Date-Modified = {2020-10-26 13:05:28 +0100},
-	Doi = {10.1021/acs.jctc.8b00680},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {5180},
-	Title = {Many-Body Expanded Full Configuration Interaction. I. Weakly Correlated Regime},
-	Volume = {14},
-	Year = {2018},
+	author = {J. J. Eriksen and J. Gauss},
+	date-added = {2020-10-26 13:05:28 +0100},
+	date-modified = {2020-10-26 13:05:28 +0100},
+	doi = {10.1021/acs.jctc.8b00680},
+	journal = {J. Chem. Theory Comput.},
+	pages = {5180},
+	title = {Many-Body Expanded Full Configuration Interaction. I. Weakly Correlated Regime},
+	volume = {14},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00680}}
 
 @article{Eriksen_2019a,
-	Author = {J. J. Eriksen and J. Gauss},
-	Date-Added = {2020-10-26 13:05:28 +0100},
-	Date-Modified = {2020-10-26 13:05:28 +0100},
-	Doi = {10.1021/acs.jctc.9b00456},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {4873},
-	Title = {Many-Body Expanded Full Configuration Interaction. II. Strongly Correlated Regime},
-	Volume = {15},
-	Year = {2019},
+	author = {J. J. Eriksen and J. Gauss},
+	date-added = {2020-10-26 13:05:28 +0100},
+	date-modified = {2020-10-26 13:05:28 +0100},
+	doi = {10.1021/acs.jctc.9b00456},
+	journal = {J. Chem. Theory Comput.},
+	pages = {4873},
+	title = {Many-Body Expanded Full Configuration Interaction. II. Strongly Correlated Regime},
+	volume = {15},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b00456}}
 
 @article{Eriksen_2019b,
-	Author = {J. J. Eriksen and J. Gauss},
-	Date-Added = {2020-10-26 13:05:28 +0100},
-	Date-Modified = {2020-10-26 13:05:28 +0100},
-	Doi = {10.1021/acs.jpclett.9b02968},
-	Journal = {J. Phys. Chem. Lett.},
-	Pages = {7910--7915},
-	Title = {Generalized Many-Body Expanded Full Configuration Interaction Theory},
-	Volume = {27},
-	Year = {2019},
+	author = {J. J. Eriksen and J. Gauss},
+	date-added = {2020-10-26 13:05:28 +0100},
+	date-modified = {2020-10-26 13:05:28 +0100},
+	doi = {10.1021/acs.jpclett.9b02968},
+	journal = {J. Phys. Chem. Lett.},
+	pages = {7910--7915},
+	title = {Generalized Many-Body Expanded Full Configuration Interaction Theory},
+	volume = {27},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.9b02968}}
 
 @article{Eriksen_2020,
-	Author = {Janus J. Eriksen and Tyler A. Anderson and J. Emiliano Deustua and Khaldoon Ghanem and Diptarka Hait and Mark R. Hoffmann and Seunghoon Lee and Daniel S. Levine and Ilias Magoulas and Jun Shen and Norman M. Tubman and K. Birgitta Whaley and Enhua Xu and Yuan Yao and Ning Zhang and Ali Alavi and Garnet Kin-Lic Chan and Martin Head-Gordon and Wenjian Liu and Piotr Piecuch and Sandeep Sharma and Seiichiro L. Ten-no and C. J. Umrigar and J{\"u}rgen Gauss},
-	Date-Added = {2020-10-26 13:05:28 +0100},
-	Date-Modified = {2020-10-26 13:05:28 +0100},
-	Doi = {10.1021/acs.jpclett.0c02621},
-	Journal = {J. Phys. Chem. Lett.},
-	Pages = {8922--8929},
-	Title = {The Ground State Electronic Energy of Benzene},
-	Volume = {11},
-	Year = {2020},
+	author = {Janus J. Eriksen and Tyler A. Anderson and J. Emiliano Deustua and Khaldoon Ghanem and Diptarka Hait and Mark R. Hoffmann and Seunghoon Lee and Daniel S. Levine and Ilias Magoulas and Jun Shen and Norman M. Tubman and K. Birgitta Whaley and Enhua Xu and Yuan Yao and Ning Zhang and Ali Alavi and Garnet Kin-Lic Chan and Martin Head-Gordon and Wenjian Liu and Piotr Piecuch and Sandeep Sharma and Seiichiro L. Ten-no and C. J. Umrigar and J{\"u}rgen Gauss},
+	date-added = {2020-10-26 13:05:28 +0100},
+	date-modified = {2020-10-26 13:05:28 +0100},
+	doi = {10.1021/acs.jpclett.0c02621},
+	journal = {J. Phys. Chem. Lett.},
+	pages = {8922--8929},
+	title = {The Ground State Electronic Energy of Benzene},
+	volume = {11},
+	year = {2020},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.0c02621}}
 
 @article{Liu_2014,
-	Author = {Liu, W. and Hoffmann, M.R.},
-	Date-Added = {2020-10-26 13:04:17 +0100},
-	Date-Modified = {2020-10-26 13:04:17 +0100},
-	Doi = {10.1007/s00214-014-1481-x},
-	Journal = {Theor. Chem. Acc.},
-	Pages = {1481},
-	Title = {SDS: the static--dynamic--static framework for strongly correlated electrons},
-	Volume = {133},
-	Year = {2014},
+	author = {Liu, W. and Hoffmann, M.R.},
+	date-added = {2020-10-26 13:04:17 +0100},
+	date-modified = {2020-10-26 13:04:17 +0100},
+	doi = {10.1007/s00214-014-1481-x},
+	journal = {Theor. Chem. Acc.},
+	pages = {1481},
+	title = {SDS: the static--dynamic--static framework for strongly correlated electrons},
+	volume = {133},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1007/s00214-014-1481-x}}
 
 @article{Liu_2016,
-	Author = {Liu, Wenjian and Hoffmann, Mark R.},
-	Date-Added = {2020-10-26 13:04:17 +0100},
-	Date-Modified = {2020-10-26 13:04:17 +0100},
-	Doi = {10.1021/acs.jctc.5b01099},
-	Issn = {1549-9618},
-	Journal = {J. Chem. Theory Comput.},
-	Month = {Mar},
-	Number = {3},
-	Pages = {1169--1178},
-	Publisher = {American Chemical Society},
-	Title = {{iCI: Iterative CI toward full CI}},
-	Volume = {12},
-	Year = {2016},
+	author = {Liu, Wenjian and Hoffmann, Mark R.},
+	date-added = {2020-10-26 13:04:17 +0100},
+	date-modified = {2020-10-26 13:04:17 +0100},
+	doi = {10.1021/acs.jctc.5b01099},
+	issn = {1549-9618},
+	journal = {J. Chem. Theory Comput.},
+	month = {Mar},
+	number = {3},
+	pages = {1169--1178},
+	publisher = {American Chemical Society},
+	title = {{iCI: Iterative CI toward full CI}},
+	volume = {12},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.5b01099}}
 
 @article{Zhang_2020,
-	Author = {Zhang, Ning and Liu, Wenjian and Hoffmann, Mark R.},
-	Date-Added = {2020-10-26 13:04:17 +0100},
-	Date-Modified = {2020-10-26 13:04:17 +0100},
-	Doi = {10.1021/acs.jctc.9b01200},
-	Journal = {J. Chem. Theory Comput.},
-	Number = {4},
-	Pages = {2296-2316},
-	Title = {Iterative Configuration Interaction with Selection},
-	Volume = {16},
-	Year = {2020},
+	author = {Zhang, Ning and Liu, Wenjian and Hoffmann, Mark R.},
+	date-added = {2020-10-26 13:04:17 +0100},
+	date-modified = {2020-10-26 13:04:17 +0100},
+	doi = {10.1021/acs.jctc.9b01200},
+	journal = {J. Chem. Theory Comput.},
+	number = {4},
+	pages = {2296-2316},
+	title = {Iterative Configuration Interaction with Selection},
+	volume = {16},
+	year = {2020},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b01200}}
 
 @article{Koch_1994,
-	Author = {Koch,Henrik and Kobayashi,Rika and Sanchez de Mer{\'a}s,Alfredo and Jo/rgensen,Poul},
-	Date-Added = {2020-10-26 10:14:31 +0100},
-	Date-Modified = {2020-10-26 10:14:37 +0100},
-	Doi = {10.1063/1.466321},
-	Eprint = {https://doi.org/10.1063/1.466321},
-	Journal = {The Journal of Chemical Physics},
-	Number = {6},
-	Pages = {4393-4400},
-	Title = {Calculation of size‐intensive transition moments from the coupled cluster singles and doubles linear response function},
-	Url = {https://doi.org/10.1063/1.466321},
-	Volume = {100},
-	Year = {1994},
+	author = {Koch,Henrik and Kobayashi,Rika and Sanchez de Mer{\'a}s,Alfredo and Jo/rgensen,Poul},
+	date-added = {2020-10-26 10:14:31 +0100},
+	date-modified = {2020-10-26 10:14:37 +0100},
+	doi = {10.1063/1.466321},
+	eprint = {https://doi.org/10.1063/1.466321},
+	journal = {The Journal of Chemical Physics},
+	number = {6},
+	pages = {4393-4400},
+	title = {Calculation of size‐intensive transition moments from the coupled cluster singles and doubles linear response function},
+	url = {https://doi.org/10.1063/1.466321},
+	volume = {100},
+	year = {1994},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.466321}}
 
 @article{Stanton_1993,
-	Author = {Stanton,John F. and Bartlett,Rodney J.},
-	Date-Added = {2020-10-26 10:12:44 +0100},
-	Date-Modified = {2020-10-26 10:12:51 +0100},
-	Doi = {10.1063/1.464746},
-	Eprint = {https://doi.org/10.1063/1.464746},
-	Journal = {The Journal of Chemical Physics},
-	Number = {9},
-	Pages = {7029-7039},
-	Title = {The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties},
-	Url = {https://doi.org/10.1063/1.464746},
-	Volume = {98},
-	Year = {1993},
+	author = {Stanton,John F. and Bartlett,Rodney J.},
+	date-added = {2020-10-26 10:12:44 +0100},
+	date-modified = {2020-10-26 10:12:51 +0100},
+	doi = {10.1063/1.464746},
+	eprint = {https://doi.org/10.1063/1.464746},
+	journal = {The Journal of Chemical Physics},
+	number = {9},
+	pages = {7029-7039},
+	title = {The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties},
+	url = {https://doi.org/10.1063/1.464746},
+	volume = {98},
+	year = {1993},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.464746}}
 
 @article{Scuseria_1988b,
-	Abstract = {A new implementation of the coupled cluster method including all single, double and triple excitations (designated CCSDT) has been developed and carefully tested. Applications to the molecular structures and harmonic vibrational frequencies of HF, OH−, N2 and CO are reported. CCSDT results are in close agreement with those obtained from the configuration interaction method including all single, double, triple and quadruple excitations (CISDTQ).},
-	Author = {Gustavo E. Scuseria and Henry F. Schaefer},
-	Date-Added = {2020-10-26 10:02:58 +0100},
-	Date-Modified = {2020-10-26 10:03:09 +0100},
-	Doi = {https://doi.org/10.1016/0009-2614(88)80110-6},
-	Issn = {0009-2614},
-	Journal = {Chemical Physics Letters},
-	Number = {4},
-	Pages = {382 - 386},
-	Title = {A new implementation of the full CCSDT model for molecular electronic structure},
-	Url = {http://www.sciencedirect.com/science/article/pii/0009261488801106},
-	Volume = {152},
-	Year = {1988},
+	abstract = {A new implementation of the coupled cluster method including all single, double and triple excitations (designated CCSDT) has been developed and carefully tested. Applications to the molecular structures and harmonic vibrational frequencies of HF, OH−, N2 and CO are reported. CCSDT results are in close agreement with those obtained from the configuration interaction method including all single, double, triple and quadruple excitations (CISDTQ).},
+	author = {Gustavo E. Scuseria and Henry F. Schaefer},
+	date-added = {2020-10-26 10:02:58 +0100},
+	date-modified = {2020-10-26 10:03:09 +0100},
+	doi = {https://doi.org/10.1016/0009-2614(88)80110-6},
+	issn = {0009-2614},
+	journal = {Chemical Physics Letters},
+	number = {4},
+	pages = {382 - 386},
+	title = {A new implementation of the full CCSDT model for molecular electronic structure},
+	url = {http://www.sciencedirect.com/science/article/pii/0009261488801106},
+	volume = {152},
+	year = {1988},
 	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0009261488801106},
 	Bdsk-Url-2 = {https://doi.org/10.1016/0009-2614(88)80110-6}}
 
 @article{Scuseria_1989,
-	Author = {Scuseria,Gustavo E. and Schaefer,Henry F.},
-	Date-Added = {2020-10-26 09:04:40 +0100},
-	Date-Modified = {2020-10-26 09:04:46 +0100},
-	Doi = {10.1063/1.455827},
-	Eprint = {https://doi.org/10.1063/1.455827},
-	Journal = {The Journal of Chemical Physics},
-	Number = {7},
-	Pages = {3700-3703},
-	Title = {Is coupled cluster singles and doubles (CCSD) more computationally intensive than quadratic configuration interaction (QCISD)?},
-	Url = {https://doi.org/10.1063/1.455827},
-	Volume = {90},
-	Year = {1989},
+	author = {Scuseria,Gustavo E. and Schaefer,Henry F.},
+	date-added = {2020-10-26 09:04:40 +0100},
+	date-modified = {2020-10-26 09:04:46 +0100},
+	doi = {10.1063/1.455827},
+	eprint = {https://doi.org/10.1063/1.455827},
+	journal = {The Journal of Chemical Physics},
+	number = {7},
+	pages = {3700-3703},
+	title = {Is coupled cluster singles and doubles (CCSD) more computationally intensive than quadratic configuration interaction (QCISD)?},
+	url = {https://doi.org/10.1063/1.455827},
+	volume = {90},
+	year = {1989},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.455827}}
 
 @article{Scuseria_1988a,
-	Author = {Scuseria,Gustavo E. and Janssen,Curtis L. and Schaefer,Henry F.},
-	Date-Added = {2020-10-26 09:04:10 +0100},
-	Date-Modified = {2020-10-26 10:03:17 +0100},
-	Doi = {10.1063/1.455269},
-	Eprint = {https://doi.org/10.1063/1.455269},
-	Journal = {The Journal of Chemical Physics},
-	Number = {12},
-	Pages = {7382-7387},
-	Title = {An efficient reformulation of the closed‐shell coupled cluster single and double excitation (CCSD) equations},
-	Url = {https://doi.org/10.1063/1.455269},
-	Volume = {89},
-	Year = {1988},
+	author = {Scuseria,Gustavo E. and Janssen,Curtis L. and Schaefer,Henry F.},
+	date-added = {2020-10-26 09:04:10 +0100},
+	date-modified = {2020-10-26 10:03:17 +0100},
+	doi = {10.1063/1.455269},
+	eprint = {https://doi.org/10.1063/1.455269},
+	journal = {The Journal of Chemical Physics},
+	number = {12},
+	pages = {7382-7387},
+	title = {An efficient reformulation of the closed‐shell coupled cluster single and double excitation (CCSD) equations},
+	url = {https://doi.org/10.1063/1.455269},
+	volume = {89},
+	year = {1988},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.455269}}
 
 @inbook{Cizek_1969,
-	Author = {J. Cizek},
-	Date-Added = {2020-10-26 08:59:18 +0100},
-	Date-Modified = {2020-10-26 09:03:32 +0100},
-	Doi = {10.1002/9780470143599},
-	Editor = {P. C. Hariharan},
-	Pages = {35},
-	Publisher = {Wiley Interscience, New York},
-	Title = {Advances in Chemical Physics},
-	Volume = {14},
-	Year = {1969},
+	author = {J. Cizek},
+	date-added = {2020-10-26 08:59:18 +0100},
+	date-modified = {2020-10-26 09:03:32 +0100},
+	doi = {10.1002/9780470143599},
+	editor = {P. C. Hariharan},
+	pages = {35},
+	publisher = {Wiley Interscience, New York},
+	title = {Advances in Chemical Physics},
+	volume = {14},
+	year = {1969},
 	Bdsk-Url-1 = {https://doi.org/10.1002/9780470143599}}
 
 @book{CramerBook,
-	Author = {C. J. Cramer},
-	Date-Added = {2020-10-26 08:50:25 +0100},
-	Date-Modified = {2020-10-26 08:50:25 +0100},
-	Keywords = {qmech},
-	Publisher = {Wiley},
-	Title = {Essentials of Computational Chemistry: Theories and Models},
-	Year = {2004}}
+	author = {C. J. Cramer},
+	date-added = {2020-10-26 08:50:25 +0100},
+	date-modified = {2020-10-26 08:50:25 +0100},
+	keywords = {qmech},
+	publisher = {Wiley},
+	title = {Essentials of Computational Chemistry: Theories and Models},
+	year = {2004}}
 
 @article{Pitonak_2009,
-	Abstract = {Abstract Scaled MP3 interaction energies calculated as a sum of MP2/CBS (complete basis set limit) interaction energies and scaled third-order energy contributions obtained in small or medium size basis sets agree very closely with the estimated CCSD(T)/CBS interaction energies for the 22 H-bonded, dispersion-controlled and mixed non-covalent complexes from the S22 data set. Performance of this so-called MP2.5 (third-order scaling factor of 0.5) method has also been tested for 33 nucleic acid base pairs and two stacked conformers of porphine dimer. In all the test cases, performance of the MP2.5 method was shown to be superior to the scaled spin-component MP2 based methods, e.g. SCS--MP2, SCSN--MP2 and SCS(MI)--MP2. In particular, a very balanced treatment of hydrogen-bonded compared to stacked complexes is achieved with MP2.5. The main advantage of the approach is that it employs only a single empirical parameter and is thus biased by two rigorously defined, asymptotically correct ab-initio methods, MP2 and MP3. The method is proposed as an accurate but computationally feasible alternative to CCSD(T) for the computation of the properties of various kinds of non-covalently bound systems.},
-	Author = {Pito{\v n}{\'a}k, Michal and Neogr{\'a}dy, Pavel and {\v C}ern{\'y}, Ji{\v r}{\'\i} and Grimme, Stefan and Hobza, Pavel},
-	Date-Added = {2020-09-08 20:46:45 +0200},
-	Date-Modified = {2020-09-08 20:46:53 +0200},
-	Doi = {10.1002/cphc.200800718},
-	Eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/cphc.200800718},
-	Journal = {ChemPhysChem},
-	Keywords = {benchmark calculations, complete basis set limit, DNA nucleic acid, molecular interactions, porphine},
-	Number = {1},
-	Pages = {282--289},
-	Title = {Scaled MP3 Non-Covalent Interaction Energies Agree Closely with Accurate CCSD(T) Benchmark Data},
-	Url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/cphc.200800718},
-	Volume = {10},
-	Year = {2009},
+	abstract = {Abstract Scaled MP3 interaction energies calculated as a sum of MP2/CBS (complete basis set limit) interaction energies and scaled third-order energy contributions obtained in small or medium size basis sets agree very closely with the estimated CCSD(T)/CBS interaction energies for the 22 H-bonded, dispersion-controlled and mixed non-covalent complexes from the S22 data set. Performance of this so-called MP2.5 (third-order scaling factor of 0.5) method has also been tested for 33 nucleic acid base pairs and two stacked conformers of porphine dimer. In all the test cases, performance of the MP2.5 method was shown to be superior to the scaled spin-component MP2 based methods, e.g. SCS--MP2, SCSN--MP2 and SCS(MI)--MP2. In particular, a very balanced treatment of hydrogen-bonded compared to stacked complexes is achieved with MP2.5. The main advantage of the approach is that it employs only a single empirical parameter and is thus biased by two rigorously defined, asymptotically correct ab-initio methods, MP2 and MP3. The method is proposed as an accurate but computationally feasible alternative to CCSD(T) for the computation of the properties of various kinds of non-covalently bound systems.},
+	author = {Pito{\v n}{\'a}k, Michal and Neogr{\'a}dy, Pavel and {\v C}ern{\'y}, Ji{\v r}{\'\i} and Grimme, Stefan and Hobza, Pavel},
+	date-added = {2020-09-08 20:46:45 +0200},
+	date-modified = {2020-09-08 20:46:53 +0200},
+	doi = {10.1002/cphc.200800718},
+	eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/cphc.200800718},
+	journal = {ChemPhysChem},
+	keywords = {benchmark calculations, complete basis set limit, DNA nucleic acid, molecular interactions, porphine},
+	number = {1},
+	pages = {282--289},
+	title = {Scaled MP3 Non-Covalent Interaction Energies Agree Closely with Accurate CCSD(T) Benchmark Data},
+	url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/cphc.200800718},
+	volume = {10},
+	year = {2009},
 	Bdsk-Url-1 = {https://onlinelibrary.wiley.com/doi/abs/10.1002/cphc.200800718},
 	Bdsk-Url-2 = {https://doi.org/10.1002/cphc.200800718}}
 
 @misc{Applencourt_2018,
-	Archiveprefix = {arXiv},
-	Author = {Thomas Applencourt and Kevin Gasperich and Anthony Scemama},
-	Date-Added = {2020-09-07 22:30:24 +0200},
-	Date-Modified = {2020-09-07 22:30:24 +0200},
-	Eprint = {1812.06902},
-	Primaryclass = {physics.chem-ph},
-	Title = {Spin adaptation with determinant-based selected configuration interaction},
-	Year = {2018}}
+	archiveprefix = {arXiv},
+	author = {Thomas Applencourt and Kevin Gasperich and Anthony Scemama},
+	date-added = {2020-09-07 22:30:24 +0200},
+	date-modified = {2020-09-07 22:30:24 +0200},
+	eprint = {1812.06902},
+	primaryclass = {physics.chem-ph},
+	title = {Spin adaptation with determinant-based selected configuration interaction},
+	year = {2018}}
 
 @article{Page_2003,
-	Author = {Page, Christopher S. and Olivucci, Massimo},
-	Date-Added = {2020-09-07 14:08:10 +0200},
-	Date-Modified = {2020-09-07 14:08:15 +0200},
-	Doi = {10.1002/jcc.10145},
-	Issn = {1096-987X},
-	Journal = {J. Comput. Chem.},
-	Keywords = {second-order perturbation-theory, electronically excited state, potential energy surface, geometry optimization, conical intersection},
-	Number = {3},
-	Pages = {298--309},
-	Publisher = {Wiley Subscription Services, Inc., A Wiley Company},
-	Title = {Ground and Excited State CASPT2 Geometry Optimizations of Small Organic Molecules},
-	Url = {http://dx.doi.org/10.1002/jcc.10145},
-	Volume = {24},
-	Year = {2003},
+	author = {Page, Christopher S. and Olivucci, Massimo},
+	date-added = {2020-09-07 14:08:10 +0200},
+	date-modified = {2020-09-07 14:08:15 +0200},
+	doi = {10.1002/jcc.10145},
+	issn = {1096-987X},
+	journal = {J. Comput. Chem.},
+	keywords = {second-order perturbation-theory, electronically excited state, potential energy surface, geometry optimization, conical intersection},
+	number = {3},
+	pages = {298--309},
+	publisher = {Wiley Subscription Services, Inc., A Wiley Company},
+	title = {Ground and Excited State CASPT2 Geometry Optimizations of Small Organic Molecules},
+	url = {http://dx.doi.org/10.1002/jcc.10145},
+	volume = {24},
+	year = {2003},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1002/jcc.10145}}
 
 @article{Kannar_2014,
-	Author = {K{\'a}nn{\'a}r, D{\'a}niel and Szalay, P{\'e}ter G.},
-	Date-Added = {2020-09-07 14:07:47 +0200},
-	Date-Modified = {2020-09-07 14:07:55 +0200},
-	Doi = {10.1021/ct500495n},
-	Eprint = {http://dx.doi.org/10.1021/ct500495n},
-	Journal = {J. Chem. Theory Comput.},
-	Number = {9},
-	Pages = {3757-3765},
-	Title = {Benchmarking Coupled Cluster Methods on Valence Singlet Excited States},
-	Url = {http://dx.doi.org/10.1021/ct500495n},
-	Volume = {10},
-	Year = {2014},
+	author = {K{\'a}nn{\'a}r, D{\'a}niel and Szalay, P{\'e}ter G.},
+	date-added = {2020-09-07 14:07:47 +0200},
+	date-modified = {2020-09-07 14:07:55 +0200},
+	doi = {10.1021/ct500495n},
+	eprint = {http://dx.doi.org/10.1021/ct500495n},
+	journal = {J. Chem. Theory Comput.},
+	number = {9},
+	pages = {3757-3765},
+	title = {Benchmarking Coupled Cluster Methods on Valence Singlet Excited States},
+	url = {http://dx.doi.org/10.1021/ct500495n},
+	volume = {10},
+	year = {2014},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1021/ct500495n}}
 
 @article{Tuna_2016,
-	Author = {Tuna, Deniz and Lu, You and Koslowski, Axel and Thiel, Walter},
-	Date-Added = {2020-09-07 14:06:23 +0200},
-	Date-Modified = {2020-09-07 14:06:29 +0200},
-	Doi = {10.1021/acs.jctc.6b00403},
-	Eprint = {http://dx.doi.org/10.1021/acs.jctc.6b00403},
-	Journal = {J. Chem. Theory Comput.},
-	Number = {9},
-	Pages = {4400--4422},
-	Title = {Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Benchmarks of Electronically Excited States},
-	Url = {http://dx.doi.org/10.1021/acs.jctc.6b00403},
-	Volume = {12},
-	Year = {2016},
+	author = {Tuna, Deniz and Lu, You and Koslowski, Axel and Thiel, Walter},
+	date-added = {2020-09-07 14:06:23 +0200},
+	date-modified = {2020-09-07 14:06:29 +0200},
+	doi = {10.1021/acs.jctc.6b00403},
+	eprint = {http://dx.doi.org/10.1021/acs.jctc.6b00403},
+	journal = {J. Chem. Theory Comput.},
+	number = {9},
+	pages = {4400--4422},
+	title = {Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Benchmarks of Electronically Excited States},
+	url = {http://dx.doi.org/10.1021/acs.jctc.6b00403},
+	volume = {12},
+	year = {2016},
 	Bdsk-File-1 = {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},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1021/acs.jctc.6b00403}}
 
 @article{Bousquet_2013,
-	Author = {Bousquet, Diane and Fukuda, Ryoichi and Maitarad, Phornphimon and Jacquemin, Denis and Ciofini, Ilaria and Adamo, Carlo and Ehara, Masahiro},
-	Date-Added = {2020-09-07 14:06:07 +0200},
-	Date-Modified = {2020-09-07 14:06:13 +0200},
-	Doi = {10.1021/ct400097b},
-	Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ct400097b},
-	Journal = {J. Chem. Theory Comput.},
-	Number = {5},
-	Pages = {2368-2379},
-	Title = {Excited-State Geometries of Heteroaromatic Compounds: A Comparative TD-DFT and SAC-CI Study},
-	Url = {http://pubs.acs.org/doi/abs/10.1021/ct400097b},
-	Volume = {9},
-	Year = {2013},
+	author = {Bousquet, Diane and Fukuda, Ryoichi and Maitarad, Phornphimon and Jacquemin, Denis and Ciofini, Ilaria and Adamo, Carlo and Ehara, Masahiro},
+	date-added = {2020-09-07 14:06:07 +0200},
+	date-modified = {2020-09-07 14:06:13 +0200},
+	doi = {10.1021/ct400097b},
+	eprint = {http://pubs.acs.org/doi/pdf/10.1021/ct400097b},
+	journal = {J. Chem. Theory Comput.},
+	number = {5},
+	pages = {2368-2379},
+	title = {Excited-State Geometries of Heteroaromatic Compounds: A Comparative TD-DFT and SAC-CI Study},
+	url = {http://pubs.acs.org/doi/abs/10.1021/ct400097b},
+	volume = {9},
+	year = {2013},
 	Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ct400097b},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1021/ct400097b}}
 
 @article{Tajti_2016,
-	Author = {Tajti, Attila and Szalay, P{\'e}ter G.},
-	Date-Added = {2020-09-07 14:04:00 +0200},
-	Date-Modified = {2020-09-07 14:04:11 +0200},
-	Doi = {10.1021/acs.jctc.6b00723},
-	Eprint = {https://doi.org/10.1021/acs.jctc.6b00723},
-	Journal = {J. Chem. Theory Comput.},
-	Number = {11},
-	Pages = {5477--5482},
-	Title = {Investigation of the Impact of Different Terms in the Second Order Hamiltonian on Excitation Energies of Valence and Rydberg States},
-	Url = {https://doi.org/10.1021/acs.jctc.6b00723},
-	Volume = {12},
-	Year = {2016},
+	author = {Tajti, Attila and Szalay, P{\'e}ter G.},
+	date-added = {2020-09-07 14:04:00 +0200},
+	date-modified = {2020-09-07 14:04:11 +0200},
+	doi = {10.1021/acs.jctc.6b00723},
+	eprint = {https://doi.org/10.1021/acs.jctc.6b00723},
+	journal = {J. Chem. Theory Comput.},
+	number = {11},
+	pages = {5477--5482},
+	title = {Investigation of the Impact of Different Terms in the Second Order Hamiltonian on Excitation Energies of Valence and Rydberg States},
+	url = {https://doi.org/10.1021/acs.jctc.6b00723},
+	volume = {12},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.6b00723}}
 
 @article{Tajti_2018,
-	Author = {Tajti, Attila and Stanton, John F. and Matthews, Devin A. and Szalay, P{\'e}ter G.},
-	Date-Added = {2020-09-07 14:04:00 +0200},
-	Date-Modified = {2020-09-07 14:04:09 +0200},
-	Doi = {10.1021/acs.jctc.8b00681},
-	Eprint = {https://doi.org/10.1021/acs.jctc.8b00681},
-	Journal = {J. Chem. Theory Comput.},
-	Number = {11},
-	Pages = {5859--5869},
-	Title = {Accuracy of Coupled Cluster Excited State Potential Energy Surfaces},
-	Url = {https://doi.org/10.1021/acs.jctc.8b00681},
-	Volume = {14},
-	Year = {2018},
+	author = {Tajti, Attila and Stanton, John F. and Matthews, Devin A. and Szalay, P{\'e}ter G.},
+	date-added = {2020-09-07 14:04:00 +0200},
+	date-modified = {2020-09-07 14:04:09 +0200},
+	doi = {10.1021/acs.jctc.8b00681},
+	eprint = {https://doi.org/10.1021/acs.jctc.8b00681},
+	journal = {J. Chem. Theory Comput.},
+	number = {11},
+	pages = {5859--5869},
+	title = {Accuracy of Coupled Cluster Excited State Potential Energy Surfaces},
+	url = {https://doi.org/10.1021/acs.jctc.8b00681},
+	volume = {14},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00681}}
 
 @article{Tajti_2019,
-	Author = {Tajti, Attila and Szalay, P{\'e}ter G.},
-	Date-Added = {2020-09-07 14:04:00 +0200},
-	Date-Modified = {2020-09-07 14:04:06 +0200},
-	Doi = {10.1021/acs.jctc.9b00676},
-	Eprint = {https://doi.org/10.1021/acs.jctc.9b00676},
-	Journal = {J. Chem. Theory Comput.},
-	Number = {10},
-	Pages = {5523--5531},
-	Title = {Accuracy of Spin-Component-Scaled CC2 Excitation Energies and Potential Energy Surfaces},
-	Url = {https://doi.org/10.1021/acs.jctc.9b00676},
-	Volume = {15},
-	Year = {2019},
+	author = {Tajti, Attila and Szalay, P{\'e}ter G.},
+	date-added = {2020-09-07 14:04:00 +0200},
+	date-modified = {2020-09-07 14:04:06 +0200},
+	doi = {10.1021/acs.jctc.9b00676},
+	eprint = {https://doi.org/10.1021/acs.jctc.9b00676},
+	journal = {J. Chem. Theory Comput.},
+	number = {10},
+	pages = {5523--5531},
+	title = {Accuracy of Spin-Component-Scaled CC2 Excitation Energies and Potential Energy Surfaces},
+	url = {https://doi.org/10.1021/acs.jctc.9b00676},
+	volume = {15},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b00676}}
 
 @article{Shiozaki_2011,
-	Author = {Shiozaki, Toru and Gy{\H o}rffy, Werner and Celani, Paolo and Werner, Hans-Joachim},
-	Date-Added = {2020-09-07 13:55:17 +0200},
-	Date-Modified = {2020-09-07 13:55:17 +0200},
-	Doi = {10.1063/1.3633329},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = aug,
-	Number = {8},
-	Pages = {081106},
-	Shorttitle = {Communication},
-	Title = {Communication: {{Extended}} Multi-State Complete Active Space Second-Order Perturbation Theory: {{Energy}} and Nuclear Gradients},
-	Volume = {135},
-	Year = {2011},
+	author = {Shiozaki, Toru and Gy{\H o}rffy, Werner and Celani, Paolo and Werner, Hans-Joachim},
+	date-added = {2020-09-07 13:55:17 +0200},
+	date-modified = {2020-09-07 13:55:17 +0200},
+	doi = {10.1063/1.3633329},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = aug,
+	number = {8},
+	pages = {081106},
+	shorttitle = {Communication},
+	title = {Communication: {{Extended}} Multi-State Complete Active Space Second-Order Perturbation Theory: {{Energy}} and Nuclear Gradients},
+	volume = {135},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3633329}}
 
 @article{Christiansen_1996b,
-	Author = {Ove Christiansen and Henrik Koch and Poul J{\o}rgensen},
-	Date-Added = {2020-09-07 13:54:50 +0200},
-	Date-Modified = {2020-09-07 13:54:56 +0200},
-	Doi = {10.1063/1.472007},
-	Eprint = {http://dx.doi.org/10.1063/1.472007},
-	Journal = {J. Chem. Phys.},
-	Number = {4},
-	Pages = {1451--1459},
-	Title = {Perturbative Triple Excitation Corrections to Coupled Cluster Singles and Doubles Excitation Energies},
-	Url = {http://dx.doi.org/10.1063/1.472007},
-	Volume = {105},
-	Year = {1996},
+	author = {Ove Christiansen and Henrik Koch and Poul J{\o}rgensen},
+	date-added = {2020-09-07 13:54:50 +0200},
+	date-modified = {2020-09-07 13:54:56 +0200},
+	doi = {10.1063/1.472007},
+	eprint = {http://dx.doi.org/10.1063/1.472007},
+	journal = {J. Chem. Phys.},
+	number = {4},
+	pages = {1451--1459},
+	title = {Perturbative Triple Excitation Corrections to Coupled Cluster Singles and Doubles Excitation Energies},
+	url = {http://dx.doi.org/10.1063/1.472007},
+	volume = {105},
+	year = {1996},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.472007}}
 
 @article{Krauter_2013,
-	Author = {Krauter, Caroline M. and Pernpointner, Markus and Dreuw, Andreas},
-	Date-Added = {2020-09-07 13:51:50 +0200},
-	Date-Modified = {2020-09-07 13:52:12 +0200},
-	Doi = {http://dx.doi.org/10.1063/1.4776675},
-	Journal = {J. Chem. Phys.},
-	Number = {4},
-	Pages = {044107},
-	Title = {Application of the Scaled-Opposite-Spin Approximation to Algebraic Diagrammatic Construction Schemes of Second Order},
-	Url = {http://scitation.aip.org/content/aip/journal/jcp/138/4/10.1063/1.4776675},
-	Volume = {138},
-	Year = {2013},
+	author = {Krauter, Caroline M. and Pernpointner, Markus and Dreuw, Andreas},
+	date-added = {2020-09-07 13:51:50 +0200},
+	date-modified = {2020-09-07 13:52:12 +0200},
+	doi = {http://dx.doi.org/10.1063/1.4776675},
+	journal = {J. Chem. Phys.},
+	number = {4},
+	pages = {044107},
+	title = {Application of the Scaled-Opposite-Spin Approximation to Algebraic Diagrammatic Construction Schemes of Second Order},
+	url = {http://scitation.aip.org/content/aip/journal/jcp/138/4/10.1063/1.4776675},
+	volume = {138},
+	year = {2013},
 	Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/138/4/10.1063/1.4776675},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.4776675}}
 
 @article{Dutta_2018,
-	Author = {Dutta, Achintya Kumar and Nooijen, Marcel and Neese, Frank and Izs{\'a}k, R{\'o}bert},
-	Date-Added = {2020-09-07 13:51:31 +0200},
-	Date-Modified = {2020-09-07 13:51:38 +0200},
-	Doi = {10.1021/acs.jctc.7b00802},
-	Eprint = {https://doi.org/10.1021/acs.jctc.7b00802},
-	Journal = {J. Chem. Theory Comput.},
-	Number = {1},
-	Pages = {72--91},
-	Title = {Exploring the Accuracy of a Low Scaling Similarity Transformed Equation of Motion Method for Vertical Excitation Energies},
-	Url = {https://doi.org/10.1021/acs.jctc.7b00802},
-	Volume = {14},
-	Year = {2018},
+	author = {Dutta, Achintya Kumar and Nooijen, Marcel and Neese, Frank and Izs{\'a}k, R{\'o}bert},
+	date-added = {2020-09-07 13:51:31 +0200},
+	date-modified = {2020-09-07 13:51:38 +0200},
+	doi = {10.1021/acs.jctc.7b00802},
+	eprint = {https://doi.org/10.1021/acs.jctc.7b00802},
+	journal = {J. Chem. Theory Comput.},
+	number = {1},
+	pages = {72--91},
+	title = {Exploring the Accuracy of a Low Scaling Similarity Transformed Equation of Motion Method for Vertical Excitation Energies},
+	url = {https://doi.org/10.1021/acs.jctc.7b00802},
+	volume = {14},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b00802}}
 
 @article{Neese_2012,
-	Abstract = {Abstract ORCA is a general‐purpose quantum chemistry program package that features virtually all modern electronic structure methods (density functional theory, many‐body perturbation and coupled cluster theories, and multireference and semiempirical methods). It is designed with the aim of generality, extendibility, efficiency, and user friendliness. Its main field of application is larger molecules, transition metal complexes, and their spectroscopic properties. ORCA uses standard Gaussian basis functions and is fully parallelized. The article provides an overview of its current possibilities and documents its efficiency. {\copyright} 2011 John Wiley \& Sons, Ltd. This article is categorized under: Software > Quantum Chemistry},
-	Author = {Frank Neese},
-	Date-Added = {2020-09-07 13:51:05 +0200},
-	Date-Modified = {2020-09-07 13:51:11 +0200},
-	Doi = {10.1002/wcms.81},
-	Eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.81},
-	Journal = {WIREs Comput. Mol. Sci.},
-	Number = {1},
-	Pages = {73--78},
-	Title = {The ORCA Program System},
-	Url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/wcms.81},
-	Volume = {2},
-	Year = {2012},
+	abstract = {Abstract ORCA is a general‐purpose quantum chemistry program package that features virtually all modern electronic structure methods (density functional theory, many‐body perturbation and coupled cluster theories, and multireference and semiempirical methods). It is designed with the aim of generality, extendibility, efficiency, and user friendliness. Its main field of application is larger molecules, transition metal complexes, and their spectroscopic properties. ORCA uses standard Gaussian basis functions and is fully parallelized. The article provides an overview of its current possibilities and documents its efficiency. {\copyright} 2011 John Wiley \& Sons, Ltd. This article is categorized under: Software > Quantum Chemistry},
+	author = {Frank Neese},
+	date-added = {2020-09-07 13:51:05 +0200},
+	date-modified = {2020-09-07 13:51:11 +0200},
+	doi = {10.1002/wcms.81},
+	eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.81},
+	journal = {WIREs Comput. Mol. Sci.},
+	number = {1},
+	pages = {73--78},
+	title = {The ORCA Program System},
+	url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/wcms.81},
+	volume = {2},
+	year = {2012},
 	Bdsk-Url-1 = {https://onlinelibrary.wiley.com/doi/abs/10.1002/wcms.81},
 	Bdsk-Url-2 = {https://dx.doi.org/10.1002/wcms.81}}
 
 @article{Prochnow_2010,
-	Author = {Prochnow, Eric and Harding, Michael E. and Gauss, J{\"u}rgen},
-	Date-Added = {2020-09-07 13:50:37 +0200},
-	Date-Modified = {2020-09-07 13:50:54 +0200},
-	Doi = {10.1021/ct1002016},
-	Eprint = {https://doi.org/10.1021/ct1002016},
-	Journal = {J. Chem. Theory Comput.},
-	Number = {8},
-	Pages = {2339--2347},
-	Title = {Parallel Calculation of CCSDT and Mk-MRCCSDT Energies},
-	Url = {https://doi.org/10.1021/ct1002016},
-	Volume = {6},
-	Year = {2010},
+	author = {Prochnow, Eric and Harding, Michael E. and Gauss, J{\"u}rgen},
+	date-added = {2020-09-07 13:50:37 +0200},
+	date-modified = {2020-09-07 13:50:54 +0200},
+	doi = {10.1021/ct1002016},
+	eprint = {https://doi.org/10.1021/ct1002016},
+	journal = {J. Chem. Theory Comput.},
+	number = {8},
+	pages = {2339--2347},
+	title = {Parallel Calculation of CCSDT and Mk-MRCCSDT Energies},
+	url = {https://doi.org/10.1021/ct1002016},
+	volume = {6},
+	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct1002016}}
 
 @article{Watts_1996b,
-	Author = {John D. Watts and Rodney J. Bartlett},
-	Date-Added = {2020-09-07 13:49:46 +0200},
-	Date-Modified = {2020-09-07 13:50:03 +0200},
-	Doi = {https://doi.org/10.1016/0009-2614(96)00708-7},
-	Issn = {0009-2614},
-	Journal = {Chem. Phys. Lett.},
-	Number = {5},
-	Pages = {581--588},
-	Title = {Iterative and Non-Iterative Triple Excitation Corrections in Coupled-Cluster Methods for Excited Electronic States: the EOM-CCSDT-3 and EOM-CCSD($\tilde{T}$) Methods},
-	Url = {http://www.sciencedirect.com/science/article/pii/0009261496007087},
-	Volume = {258},
-	Year = {1996},
+	author = {John D. Watts and Rodney J. Bartlett},
+	date-added = {2020-09-07 13:49:46 +0200},
+	date-modified = {2020-09-07 13:50:03 +0200},
+	doi = {https://doi.org/10.1016/0009-2614(96)00708-7},
+	issn = {0009-2614},
+	journal = {Chem. Phys. Lett.},
+	number = {5},
+	pages = {581--588},
+	title = {Iterative and Non-Iterative Triple Excitation Corrections in Coupled-Cluster Methods for Excited Electronic States: the EOM-CCSDT-3 and EOM-CCSD($\tilde{T}$) Methods},
+	url = {http://www.sciencedirect.com/science/article/pii/0009261496007087},
+	volume = {258},
+	year = {1996},
 	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0009261496007087},
 	Bdsk-Url-2 = {https://doi.org/10.1016/0009-2614(96)00708-7}}
 
 @article{Krylov_2013,
-	Author = {Krylov, Anna I. and Gill, Peter M.W.},
-	Date-Added = {2020-09-07 13:46:02 +0200},
-	Date-Modified = {2020-09-07 13:46:09 +0200},
-	Doi = {10.1002/wcms.1122},
-	Issn = {1759-0884},
-	Journal = {WIREs Comput. Mol. Sci.},
-	Number = {3},
-	Pages = {317--326},
-	Publisher = {John Wiley & Sons, Inc.},
-	Title = {Q-Chem: an Engine for Innovation},
-	Url = {http://dx.doi.org/10.1002/wcms.1122},
-	Volume = {3},
-	Year = {2013},
+	author = {Krylov, Anna I. and Gill, Peter M.W.},
+	date-added = {2020-09-07 13:46:02 +0200},
+	date-modified = {2020-09-07 13:46:09 +0200},
+	doi = {10.1002/wcms.1122},
+	issn = {1759-0884},
+	journal = {WIREs Comput. Mol. Sci.},
+	number = {3},
+	pages = {317--326},
+	publisher = {John Wiley & Sons, Inc.},
+	title = {Q-Chem: an Engine for Innovation},
+	url = {http://dx.doi.org/10.1002/wcms.1122},
+	volume = {3},
+	year = {2013},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1002/wcms.1122}}
 
 @article{Stanton_1995c,
-	Author = {Stanton,John F. and Gauss,J{\"u}rgen},
-	Date-Added = {2020-09-07 13:37:18 +0200},
-	Date-Modified = {2020-09-07 13:37:27 +0200},
-	Doi = {10.1063/1.469817},
-	Eprint = {https://doi.org/10.1063/1.469817},
-	Journal = {J. Chem. Phys.},
-	Number = {3},
-	Pages = {1064--1076},
-	Title = {Perturbative Treatment of the Similarity Transformed Hamiltonian in Equation-of-Motion Coupled-Cluster Approximations},
-	Url = {https://doi.org/10.1063/1.469817},
-	Volume = {103},
-	Year = {1995},
+	author = {Stanton,John F. and Gauss,J{\"u}rgen},
+	date-added = {2020-09-07 13:37:18 +0200},
+	date-modified = {2020-09-07 13:37:27 +0200},
+	doi = {10.1063/1.469817},
+	eprint = {https://doi.org/10.1063/1.469817},
+	journal = {J. Chem. Phys.},
+	number = {3},
+	pages = {1064--1076},
+	title = {Perturbative Treatment of the Similarity Transformed Hamiltonian in Equation-of-Motion Coupled-Cluster Approximations},
+	url = {https://doi.org/10.1063/1.469817},
+	volume = {103},
+	year = {1995},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.469817}}
 
 @misc{Turbomole,
-	Date-Added = {2020-09-07 13:22:11 +0200},
-	Date-Modified = {2020-09-07 13:22:11 +0200},
-	Title = {TURBOMOLE V7.3 2018, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007; available from {\tt http://www.turbomole.com} (accessed 13 June 2016).}}
+	date-added = {2020-09-07 13:22:11 +0200},
+	date-modified = {2020-09-07 13:22:11 +0200},
+	title = {TURBOMOLE V7.3 2018, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007; available from {\tt http://www.turbomole.com} (accessed 13 June 2016).}}
 
 @article{Kucharski_1992,
-	Author = {Kucharski, S. A. and Bartlett, R. J.},
-	Date-Added = {2020-09-07 10:18:47 +0200},
-	Date-Modified = {2020-09-07 10:18:47 +0200},
-	Doi = {10.1063/1.463930},
-	Journal = {J. Chem. Phys.},
-	Pages = {4282},
-	Title = {The Coupled-Cluster Single, Double, Triple, and Quadruple Excitation Method},
-	Volume = {97},
-	Year = {1992},
+	author = {Kucharski, S. A. and Bartlett, R. J.},
+	date-added = {2020-09-07 10:18:47 +0200},
+	date-modified = {2020-09-07 10:18:47 +0200},
+	doi = {10.1063/1.463930},
+	journal = {J. Chem. Phys.},
+	pages = {4282},
+	title = {The Coupled-Cluster Single, Double, Triple, and Quadruple Excitation Method},
+	volume = {97},
+	year = {1992},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.463930}}
 
 @article{Oliphant_1991,
-	Author = {Oliphant, N. and Adamowicz, L.},
-	Date-Added = {2020-09-07 10:18:32 +0200},
-	Date-Modified = {2020-09-07 10:18:32 +0200},
-	Doi = {10.1063/1.461534},
-	Journal = {J. Chem. Phys.},
-	Pages = {6645},
-	Title = {Coupled-Cluster Method Truncated at Quadruples},
-	Volume = {95},
-	Year = {1991},
+	author = {Oliphant, N. and Adamowicz, L.},
+	date-added = {2020-09-07 10:18:32 +0200},
+	date-modified = {2020-09-07 10:18:32 +0200},
+	doi = {10.1063/1.461534},
+	journal = {J. Chem. Phys.},
+	pages = {6645},
+	title = {Coupled-Cluster Method Truncated at Quadruples},
+	volume = {95},
+	year = {1991},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.461534}}
 
 @article{Shi11,
-	Abstract = {The potential energy curves (PECs) of eight low-lying electronic states (X2Σ+, A2Π, B2Σ+, a4Σ+, D2Π, E2Σ+, 12Σ− and F2Δ) of the CN radical have been studied using the ab initio quantum chemical method. The calculations have been performed using the complete active space self-consistent field (CASSCF) method followed by the valence internally contracted multireference configuration interaction (MRCI) approach in combination with the correlation-consistent basis sets of Dunning and co-workers. The effects on the PECs by the core--valence correlation and relativistic corrections are taken into account. The way to consider the relativistic correction is to use the second-order Douglas--Kroll Hamiltonian approximation. The core--valence correlation correction calculations are performed with the cc-pCVQZ basis set. The relativistic correction is carried out at the level of cc-pV5Z basis set. In order to obtain more reliable results, the PECs determined by the MRCI calculations are also corrected for size-extensivity errors by means of the Davidson modification (MRCI+Q). The PECs are extrapolated to the complete basis set (CBS) limit by the total-energy extrapolation scheme. With these PECs, the spectroscopic parameters (Te, Re, ωe, ωexe, ωeуe, Be, αe and γe) are determined and compared with those reported in the literature. Finally, with the PECs obtained by the MRCI+Q/CV+DK+Q5 calculations, the complete vibrational states are computed for the eight electronic states by solving the ro-vibrational Schr{\"o}dinger equation for the non-rotating radical, and the vibrational levels and inertial rotation and centrifugal distortion constants of the first 11 vibrational states are reported, which agree favorably with the available experimental data. The spectroscopic parameters of 12Σ− and F2Δ electronic states obtained by the MRCI+Q/CV+DK+Q5 calculations should be good predictions for future laboratory experiments.},
-	Author = {De-heng Shi and Wen-tao Li and Jin-feng Sun and Zun-lue Zhu},
-	Date-Added = {2020-09-07 10:11:41 +0200},
-	Date-Modified = {2020-09-07 10:11:41 +0200},
-	Doi = {https://doi.org/10.1016/j.jqsrt.2011.06.002},
-	Issn = {0022-4073},
-	Journal = {J. Quant. Spectrosc. Radiat. Transf.},
-	Keywords = {Core--valence correlation correction, Relativistic correction, Molecular constant, Basis set extrapolation, Spectroscopic parameter},
-	Number = {14},
-	Pages = {2335--2346},
-	Title = {MRCI Study on Spectroscopic and Molecular Properties of Several Low-Lying Electronic States of the CN Radical},
-	Url = {http://www.sciencedirect.com/science/article/pii/S0022407311002147},
-	Volume = {112},
-	Year = {2011},
+	abstract = {The potential energy curves (PECs) of eight low-lying electronic states (X2Σ+, A2Π, B2Σ+, a4Σ+, D2Π, E2Σ+, 12Σ− and F2Δ) of the CN radical have been studied using the ab initio quantum chemical method. The calculations have been performed using the complete active space self-consistent field (CASSCF) method followed by the valence internally contracted multireference configuration interaction (MRCI) approach in combination with the correlation-consistent basis sets of Dunning and co-workers. The effects on the PECs by the core--valence correlation and relativistic corrections are taken into account. The way to consider the relativistic correction is to use the second-order Douglas--Kroll Hamiltonian approximation. The core--valence correlation correction calculations are performed with the cc-pCVQZ basis set. The relativistic correction is carried out at the level of cc-pV5Z basis set. In order to obtain more reliable results, the PECs determined by the MRCI calculations are also corrected for size-extensivity errors by means of the Davidson modification (MRCI+Q). The PECs are extrapolated to the complete basis set (CBS) limit by the total-energy extrapolation scheme. With these PECs, the spectroscopic parameters (Te, Re, ωe, ωexe, ωeуe, Be, αe and γe) are determined and compared with those reported in the literature. Finally, with the PECs obtained by the MRCI+Q/CV+DK+Q5 calculations, the complete vibrational states are computed for the eight electronic states by solving the ro-vibrational Schr{\"o}dinger equation for the non-rotating radical, and the vibrational levels and inertial rotation and centrifugal distortion constants of the first 11 vibrational states are reported, which agree favorably with the available experimental data. The spectroscopic parameters of 12Σ− and F2Δ electronic states obtained by the MRCI+Q/CV+DK+Q5 calculations should be good predictions for future laboratory experiments.},
+	author = {De-heng Shi and Wen-tao Li and Jin-feng Sun and Zun-lue Zhu},
+	date-added = {2020-09-07 10:11:41 +0200},
+	date-modified = {2020-09-07 10:11:41 +0200},
+	doi = {https://doi.org/10.1016/j.jqsrt.2011.06.002},
+	issn = {0022-4073},
+	journal = {J. Quant. Spectrosc. Radiat. Transf.},
+	keywords = {Core--valence correlation correction, Relativistic correction, Molecular constant, Basis set extrapolation, Spectroscopic parameter},
+	number = {14},
+	pages = {2335--2346},
+	title = {MRCI Study on Spectroscopic and Molecular Properties of Several Low-Lying Electronic States of the CN Radical},
+	url = {http://www.sciencedirect.com/science/article/pii/S0022407311002147},
+	volume = {112},
+	year = {2011},
 	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0022407311002147},
 	Bdsk-Url-2 = {https://doi.org/10.1016/j.jqsrt.2011.06.002}}
 
 @article{Finley_1998,
-	Abstract = {An extension of the multiconfigurational second-order perturbation approach \{CASPT2\} is suggested, where several electronic states are coupled at second order via an effective-Hamiltonian approach. The method has been implemented into the MOLCAS-4 program system, where it will replace the single-state \{CASPT2\} program. The accuracy of the method is illustrated through calculations of the ionic-neutral avoided crossing in the potential curves for LiF and of the valence-Rydberg mixing in the V-state of the ethylene molecule. },
-	Author = {James Finley and Per-{\AA}ke Malmqvist and Bj{\"o}rn O. Roos and Luis Serrano-Andr{\'e}s},
-	Date-Added = {2020-09-07 10:11:08 +0200},
-	Date-Modified = {2020-09-07 10:11:14 +0200},
-	Doi = {https://doi.org/10.1016/S0009-2614(98)00252-8},
-	Issn = {0009-2614},
-	Journal = {Chem. Phys. Lett.},
-	Number = {2--4},
-	Pages = {299--306},
-	Title = {The Multi-State CASPT2 Method},
-	Url = {http://www.sciencedirect.com/science/article/pii/S0009261498002528},
-	Volume = {288},
-	Year = {1998},
+	abstract = {An extension of the multiconfigurational second-order perturbation approach \{CASPT2\} is suggested, where several electronic states are coupled at second order via an effective-Hamiltonian approach. The method has been implemented into the MOLCAS-4 program system, where it will replace the single-state \{CASPT2\} program. The accuracy of the method is illustrated through calculations of the ionic-neutral avoided crossing in the potential curves for LiF and of the valence-Rydberg mixing in the V-state of the ethylene molecule. },
+	author = {James Finley and Per-{\AA}ke Malmqvist and Bj{\"o}rn O. Roos and Luis Serrano-Andr{\'e}s},
+	date-added = {2020-09-07 10:11:08 +0200},
+	date-modified = {2020-09-07 10:11:14 +0200},
+	doi = {https://doi.org/10.1016/S0009-2614(98)00252-8},
+	issn = {0009-2614},
+	journal = {Chem. Phys. Lett.},
+	number = {2--4},
+	pages = {299--306},
+	title = {The Multi-State CASPT2 Method},
+	url = {http://www.sciencedirect.com/science/article/pii/S0009261498002528},
+	volume = {288},
+	year = {1998},
 	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0009261498002528},
 	Bdsk-Url-2 = {https://doi.org/10.1016/S0009-2614(98)00252-8}}
 
 @article{molpro,
-	Abstract = {Abstract Molpro (available at http://www.molpro.net) is a general-purpose quantum chemical program. The original focus was on high-accuracy wave function calculations for small molecules, but using local approximations combined with explicit correlation treatments, highly accurate coupled-cluster calculations are now possible for molecules with up to approximately 100 atoms. Recently, multireference correlation treatments were also made applicable to larger molecules. Furthermore, an efficient implementation of density functional theory is available. {\copyright} 2011 John Wiley \& Sons, Ltd. This article is categorized under: Software > Quantum Chemistry},
-	Author = {Werner, Hans-Joachim and Knowles, Peter J. and Knizia, Gerald and Manby, Frederick R. and Sch{\"u}tz, Martin},
-	Date-Added = {2020-09-07 10:09:43 +0200},
-	Date-Modified = {2020-09-07 10:09:43 +0200},
-	Doi = {10.1002/wcms.82},
-	Eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.82},
-	Journal = {Wiley Interdisciplinary Reviews: Computational Molecular Science},
-	Number = {2},
-	Pages = {242-253},
-	Title = {Molpro: a general-purpose quantum chemistry program package},
-	Url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/wcms.82},
-	Volume = {2},
-	Year = {2011},
+	abstract = {Abstract Molpro (available at http://www.molpro.net) is a general-purpose quantum chemical program. The original focus was on high-accuracy wave function calculations for small molecules, but using local approximations combined with explicit correlation treatments, highly accurate coupled-cluster calculations are now possible for molecules with up to approximately 100 atoms. Recently, multireference correlation treatments were also made applicable to larger molecules. Furthermore, an efficient implementation of density functional theory is available. {\copyright} 2011 John Wiley \& Sons, Ltd. This article is categorized under: Software > Quantum Chemistry},
+	author = {Werner, Hans-Joachim and Knowles, Peter J. and Knizia, Gerald and Manby, Frederick R. and Sch{\"u}tz, Martin},
+	date-added = {2020-09-07 10:09:43 +0200},
+	date-modified = {2020-09-07 10:09:43 +0200},
+	doi = {10.1002/wcms.82},
+	eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.82},
+	journal = {Wiley Interdisciplinary Reviews: Computational Molecular Science},
+	number = {2},
+	pages = {242-253},
+	title = {Molpro: a general-purpose quantum chemistry program package},
+	url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/wcms.82},
+	volume = {2},
+	year = {2011},
 	Bdsk-Url-1 = {https://onlinelibrary.wiley.com/doi/abs/10.1002/wcms.82},
 	Bdsk-Url-2 = {https://doi.org/10.1002/wcms.82}}
 
 @article{Goerigk_2010a,
-	Author = {Goerigk, L. and Grimme, S.},
-	Date-Added = {2020-09-07 09:29:41 +0200},
-	Date-Modified = {2020-09-07 09:29:50 +0200},
-	Journal = {J. Chem. Phys.},
-	Pages = {184103},
-	Title = {Assessment of TD-DFT Methods and of Various Spin Scaled CIS$_n$D and CC2 Versions for the Treatment of Low-Lying Valence Excitations of Large Organic Dyes},
-	Volume = {132},
-	Year = 2010}
+	author = {Goerigk, L. and Grimme, S.},
+	date-added = {2020-09-07 09:29:41 +0200},
+	date-modified = {2020-09-07 09:29:50 +0200},
+	journal = {J. Chem. Phys.},
+	pages = {184103},
+	title = {Assessment of TD-DFT Methods and of Various Spin Scaled CIS$_n$D and CC2 Versions for the Treatment of Low-Lying Valence Excitations of Large Organic Dyes},
+	volume = {132},
+	year = 2010}
 
 @article{Hellweg_2008,
-	Author = {Hellweg, A. and Gr\"un, S. A. and H\"attig, C.},
-	Date-Added = {2020-09-07 09:29:02 +0200},
-	Date-Modified = {2020-09-07 09:29:08 +0200},
-	Journal = {Phys. Chem. Chem. Phys.},
-	Pages = {4119--4127},
-	Title = {Benchmarking the Performance of Spin-Component Scaled CC2 in Ground and Electronically Excited States},
-	Volume = {10},
-	Year = {2008}}
+	author = {Hellweg, A. and Gr\"un, S. A. and H\"attig, C.},
+	date-added = {2020-09-07 09:29:02 +0200},
+	date-modified = {2020-09-07 09:29:08 +0200},
+	journal = {Phys. Chem. Chem. Phys.},
+	pages = {4119--4127},
+	title = {Benchmarking the Performance of Spin-Component Scaled CC2 in Ground and Electronically Excited States},
+	volume = {10},
+	year = {2008}}
 
 @article{Nooijen_1997,
-	Author = {Marcel Nooijen and Rodney J. Bartlett},
-	Date-Added = {2020-09-07 09:28:19 +0200},
-	Date-Modified = {2020-09-07 09:28:26 +0200},
-	Doi = {10.1063/1.474000},
-	Eprint = {https://doi.org/10.1063/1.474000},
-	Journal = {J. Chem. Phys.},
-	Number = {15},
-	Pages = {6441-6448},
-	Title = {A New Method for Excited States: Similarity Transformed Equation-Of-Motion Coupled-Cluster Theory},
-	Url = {https://doi.org/10.1063/1.474000},
-	Volume = {106},
-	Year = {1997},
+	author = {Marcel Nooijen and Rodney J. Bartlett},
+	date-added = {2020-09-07 09:28:19 +0200},
+	date-modified = {2020-09-07 09:28:26 +0200},
+	doi = {10.1063/1.474000},
+	eprint = {https://doi.org/10.1063/1.474000},
+	journal = {J. Chem. Phys.},
+	number = {15},
+	pages = {6441-6448},
+	title = {A New Method for Excited States: Similarity Transformed Equation-Of-Motion Coupled-Cluster Theory},
+	url = {https://doi.org/10.1063/1.474000},
+	volume = {106},
+	year = {1997},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.474000}}
 
 @article{Prascjer_2010,
-	Author = {Prascjer, B. P. and Woon, D. E. and Peterson, K. A. and Dunning, T. H. and Wilson, A. K.},
-	Date-Added = {2020-09-07 09:26:53 +0200},
-	Date-Modified = {2020-09-07 09:28:01 +0200},
-	Journal = {Theor. Chem. Acc.},
-	Pages = {69--82},
-	Title = {Gaussian Basis Sets for use in Correlated Molecular Calculations. VII. Valence, Core-valence, and Scalar Relativistic Basis Sets for Li, Be, Na, and Mg},
-	Volume = {128},
-	Year = {2010}}
+	author = {Prascjer, B. P. and Woon, D. E. and Peterson, K. A. and Dunning, T. H. and Wilson, A. K.},
+	date-added = {2020-09-07 09:26:53 +0200},
+	date-modified = {2020-09-07 09:28:01 +0200},
+	journal = {Theor. Chem. Acc.},
+	pages = {69--82},
+	title = {Gaussian Basis Sets for use in Correlated Molecular Calculations. VII. Valence, Core-valence, and Scalar Relativistic Basis Sets for Li, Be, Na, and Mg},
+	volume = {128},
+	year = {2010}}
 
 @article{Rolik_2013,
-	Author = {Zolt{\'a}n Rolik and L{\'o}r{\'a}nt Szegedy and Istv{\'a}n Ladj{\'a}nszki and Bence Lad{\'o}czki and Mih{\'a}ly K{\'a}llay},
-	Date-Added = {2020-09-07 09:26:23 +0200},
-	Date-Modified = {2020-09-07 09:26:30 +0200},
-	Doi = {10.1063/1.4819401},
-	Eprint = {https://doi.org/10.1063/1.4819401},
-	Journal = {J. Chem. Phys.},
-	Number = {9},
-	Pages = {094105},
-	Title = {An Efficient Linear-Scaling CCSD(T) Method Based on Local Natural Orbitals},
-	Url = {https://doi.org/10.1063/1.4819401},
-	Volume = {139},
-	Year = {2013},
+	author = {Zolt{\'a}n Rolik and L{\'o}r{\'a}nt Szegedy and Istv{\'a}n Ladj{\'a}nszki and Bence Lad{\'o}czki and Mih{\'a}ly K{\'a}llay},
+	date-added = {2020-09-07 09:26:23 +0200},
+	date-modified = {2020-09-07 09:26:30 +0200},
+	doi = {10.1063/1.4819401},
+	eprint = {https://doi.org/10.1063/1.4819401},
+	journal = {J. Chem. Phys.},
+	number = {9},
+	pages = {094105},
+	title = {An Efficient Linear-Scaling CCSD(T) Method Based on Local Natural Orbitals},
+	url = {https://doi.org/10.1063/1.4819401},
+	volume = {139},
+	year = {2013},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4819401}}
 
 @misc{Gaussian16,
-	Author = {M. J. Frisch and G. W. Trucks and H. B. Schlegel and G. E. Scuseria and M. A. Robb and J. R. Cheeseman and G. Scalmani and V. Barone and G. A. Petersson and H. Nakatsuji and X. Li and M. Caricato and A. V. Marenich and J. Bloino and B. G. Janesko and R. Gomperts and B. Mennucci and H. P. Hratchian and J. V. Ortiz and A. F. Izmaylov and J. L. Sonnenberg and D. Williams-Young and F. Ding and F. Lipparini and F. Egidi and J. Goings and B. Peng and A. Petrone and T. Henderson and D. Ranasinghe and V. G. Zakrzewski and J. Gao and N. Rega and G. Zheng and W. Liang and M. Hada and M. Ehara and K. Toyota and R. Fukuda and J. Hasegawa and M. Ishida and T. Nakajima and Y. Honda and O. Kitao and H. Nakai and T. Vreven and K. Throssell and Montgomery, {Jr.}, J. A. and J. E. Peralta and F. Ogliaro and M. J. Bearpark and J. J. Heyd and E. N. Brothers and K. N. Kudin and V. N. Staroverov and T. A. Keith and R. Kobayashi and J. Normand and K. Raghavachari and A. P. Rendell and J. C. Burant and S. S. Iyengar and J. Tomasi and M. Cossi and J. M. Millam and M. Klene and C. Adamo and R. Cammi and J. W. Ochterski and R. L. Martin and K. Morokuma and O. Farkas and J. B. Foresman and D. J. Fox},
-	Date-Added = {2020-09-07 09:26:11 +0200},
-	Date-Modified = {2020-09-07 09:26:11 +0200},
-	Note = {Gaussian Inc. Wallingford CT},
-	Title = {Gaussian 16 {R}evision {A}.03},
-	Year = {2016}}
+	author = {M. J. Frisch and G. W. Trucks and H. B. Schlegel and G. E. Scuseria and M. A. Robb and J. R. Cheeseman and G. Scalmani and V. Barone and G. A. Petersson and H. Nakatsuji and X. Li and M. Caricato and A. V. Marenich and J. Bloino and B. G. Janesko and R. Gomperts and B. Mennucci and H. P. Hratchian and J. V. Ortiz and A. F. Izmaylov and J. L. Sonnenberg and D. Williams-Young and F. Ding and F. Lipparini and F. Egidi and J. Goings and B. Peng and A. Petrone and T. Henderson and D. Ranasinghe and V. G. Zakrzewski and J. Gao and N. Rega and G. Zheng and W. Liang and M. Hada and M. Ehara and K. Toyota and R. Fukuda and J. Hasegawa and M. Ishida and T. Nakajima and Y. Honda and O. Kitao and H. Nakai and T. Vreven and K. Throssell and Montgomery, {Jr.}, J. A. and J. E. Peralta and F. Ogliaro and M. J. Bearpark and J. J. Heyd and E. N. Brothers and K. N. Kudin and V. N. Staroverov and T. A. Keith and R. Kobayashi and J. Normand and K. Raghavachari and A. P. Rendell and J. C. Burant and S. S. Iyengar and J. Tomasi and M. Cossi and J. M. Millam and M. Klene and C. Adamo and R. Cammi and J. W. Ochterski and R. L. Martin and K. Morokuma and O. Farkas and J. B. Foresman and D. J. Fox},
+	date-added = {2020-09-07 09:26:11 +0200},
+	date-modified = {2020-09-07 09:26:11 +0200},
+	note = {Gaussian Inc. Wallingford CT},
+	title = {Gaussian 16 {R}evision {A}.03},
+	year = {2016}}
 
 @misc{cfour,
-	Date-Added = {2020-09-07 09:25:53 +0200},
-	Date-Modified = {2020-09-07 09:25:53 +0200},
-	Note = {CFOUR, Coupled-Cluster techniques for Computational Chemistry, a quantum-chemical program package by J.F. Stanton, J. Gauss, L. Cheng, M.E. Harding, D.A. Matthews, P.G. Szalay with contributions from A.A. Auer, R.J. Bartlett, U. Benedikt, C. Berger, D.E. Bernholdt, Y.J. Bomble, O. Christiansen, F. Engel, R. Faber, M. Heckert, O. Heun, M. Hilgenberg, C. Huber, T.-C. Jagau, D. Jonsson, J. Jus{\'e}lius, T. Kirsch, K. Klein, W.J. Lauderdale, F. Lipparini, T. Metzroth, L.A. M{\"u}ck, D.P. O'Neill, D.R. Price, E. Prochnow, C. Puzzarini, K. Ruud, F. Schiffmann, W. Schwalbach, C. Simmons, S. Stopkowicz, A. Tajti, J. V{\'a}zquez, F. Wang, J.D. Watts and the integral packages MOLECULE (J. Alml{\"o}f and P.R. Taylor), PROPS (P.R. Taylor), ABACUS (T. Helgaker, H.J. Aa. Jensen, P. J{\o}rgensen, and J. Olsen), and ECP routines by A. V. Mitin and C. van W{\"u}llen. For the current version, see http://www.cfour.de.}}
+	date-added = {2020-09-07 09:25:53 +0200},
+	date-modified = {2020-09-07 09:25:53 +0200},
+	note = {CFOUR, Coupled-Cluster techniques for Computational Chemistry, a quantum-chemical program package by J.F. Stanton, J. Gauss, L. Cheng, M.E. Harding, D.A. Matthews, P.G. Szalay with contributions from A.A. Auer, R.J. Bartlett, U. Benedikt, C. Berger, D.E. Bernholdt, Y.J. Bomble, O. Christiansen, F. Engel, R. Faber, M. Heckert, O. Heun, M. Hilgenberg, C. Huber, T.-C. Jagau, D. Jonsson, J. Jus{\'e}lius, T. Kirsch, K. Klein, W.J. Lauderdale, F. Lipparini, T. Metzroth, L.A. M{\"u}ck, D.P. O'Neill, D.R. Price, E. Prochnow, C. Puzzarini, K. Ruud, F. Schiffmann, W. Schwalbach, C. Simmons, S. Stopkowicz, A. Tajti, J. V{\'a}zquez, F. Wang, J.D. Watts and the integral packages MOLECULE (J. Alml{\"o}f and P.R. Taylor), PROPS (P.R. Taylor), ABACUS (T. Helgaker, H.J. Aa. Jensen, P. J{\o}rgensen, and J. Olsen), and ECP routines by A. V. Mitin and C. van W{\"u}llen. For the current version, see http://www.cfour.de.}}
 
 @article{Fang_2014,
-	Author = {Fang, Changfeng and Oruganti, Baswanth and Durbeej, Bo},
-	Date-Added = {2020-09-07 09:09:06 +0200},
-	Date-Modified = {2020-09-07 09:09:17 +0200},
-	Doi = {10.1021/jp501974p},
-	Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp501974p},
-	Journal = {J. Phys. Chem. A},
-	Pages = {4157--4171},
-	Title = {How Method-Dependent Are Calculated Differences Between Vertical, Adiabatic and 0-0 Excitation Energies?},
-	Url = {http://pubs.acs.org/doi/abs/10.1021/jp501974p},
-	Volume = {118},
-	Year = {2014},
+	author = {Fang, Changfeng and Oruganti, Baswanth and Durbeej, Bo},
+	date-added = {2020-09-07 09:09:06 +0200},
+	date-modified = {2020-09-07 09:09:17 +0200},
+	doi = {10.1021/jp501974p},
+	eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp501974p},
+	journal = {J. Phys. Chem. A},
+	pages = {4157--4171},
+	title = {How Method-Dependent Are Calculated Differences Between Vertical, Adiabatic and 0-0 Excitation Energies?},
+	url = {http://pubs.acs.org/doi/abs/10.1021/jp501974p},
+	volume = {118},
+	year = {2014},
 	Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp501974p},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp501974p}}
 
 @article{Goerigk_2017,
-	Abstract = {We present the GMTKN55 benchmark database for general main group thermochemistry{,} kinetics and noncovalent interactions. Compared to its popular predecessor GMTKN30 [Goerigk and Grimme J. Chem. Theory Comput.{,} 2011{,} 7{,} 291]{,} it allows assessment across a larger variety of chemical problems---with 13 new benchmark sets being presented for the first time---and it also provides reference values of significantly higher quality for most sets. GMTKN55 comprises 1505 relative energies based on 2462 single-point calculations and it is accessible to the user community via a dedicated website. Herein{,} we demonstrate the importance of better reference values{,} and we re-emphasise the need for London-dispersion corrections in density functional theory (DFT) treatments of thermochemical problems{,} including Minnesota methods. We assessed 217 variations of dispersion-corrected and -uncorrected density functional approximations{,} and carried out a detailed analysis of 83 of them to identify robust and reliable approaches. Double-hybrid functionals are the most reliable approaches for thermochemistry and noncovalent interactions{,} and they should be used whenever technically feasible. These are{,} in particular{,} DSD-BLYP-D3(BJ){,} DSD-PBEP86-D3(BJ){,} and B2GPPLYP-D3(BJ). The best hybrids are ωB97X-V{,} M052X-D3(0){,} and ωB97X-D3{,} but we also recommend PW6B95-D3(BJ) as the best conventional global hybrid. At the meta-generalised-gradient (meta-GGA) level{,} the SCAN-D3(BJ) method can be recommended. Other meta-GGAs are outperformed by the GGA functionals revPBE-D3(BJ){,} B97-D3(BJ){,} and OLYP-D3(BJ). We note that many popular methods{,} such as B3LYP{,} are not part of our recommendations. In fact{,} with our results we hope to inspire a change in the user community{'}s perception of common DFT methods. We also encourage method developers to use GMTKN55 for cross-validation studies of new methodologies.},
-	Author = {Goerigk, Lars and Hansen, Andreas and Bauer, Christoph and Ehrlich, Stephan and Najibi, Asim and Grimme, Stefan},
-	Date-Added = {2020-09-07 08:57:06 +0200},
-	Date-Modified = {2020-09-07 08:57:12 +0200},
-	Doi = {10.1039/C7CP04913G},
-	Issue = {48},
-	Journal = {Phys. Chem. Chem. Phys.},
-	Pages = {32184-32215},
-	Publisher = {The Royal Society of Chemistry},
-	Title = {A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry{,} kinetics and noncovalent interactions},
-	Url = {http://dx.doi.org/10.1039/C7CP04913G},
-	Volume = {19},
-	Year = {2017},
+	abstract = {We present the GMTKN55 benchmark database for general main group thermochemistry{,} kinetics and noncovalent interactions. Compared to its popular predecessor GMTKN30 [Goerigk and Grimme J. Chem. Theory Comput.{,} 2011{,} 7{,} 291]{,} it allows assessment across a larger variety of chemical problems---with 13 new benchmark sets being presented for the first time---and it also provides reference values of significantly higher quality for most sets. GMTKN55 comprises 1505 relative energies based on 2462 single-point calculations and it is accessible to the user community via a dedicated website. Herein{,} we demonstrate the importance of better reference values{,} and we re-emphasise the need for London-dispersion corrections in density functional theory (DFT) treatments of thermochemical problems{,} including Minnesota methods. We assessed 217 variations of dispersion-corrected and -uncorrected density functional approximations{,} and carried out a detailed analysis of 83 of them to identify robust and reliable approaches. Double-hybrid functionals are the most reliable approaches for thermochemistry and noncovalent interactions{,} and they should be used whenever technically feasible. These are{,} in particular{,} DSD-BLYP-D3(BJ){,} DSD-PBEP86-D3(BJ){,} and B2GPPLYP-D3(BJ). The best hybrids are ωB97X-V{,} M052X-D3(0){,} and ωB97X-D3{,} but we also recommend PW6B95-D3(BJ) as the best conventional global hybrid. At the meta-generalised-gradient (meta-GGA) level{,} the SCAN-D3(BJ) method can be recommended. Other meta-GGAs are outperformed by the GGA functionals revPBE-D3(BJ){,} B97-D3(BJ){,} and OLYP-D3(BJ). We note that many popular methods{,} such as B3LYP{,} are not part of our recommendations. In fact{,} with our results we hope to inspire a change in the user community{'}s perception of common DFT methods. We also encourage method developers to use GMTKN55 for cross-validation studies of new methodologies.},
+	author = {Goerigk, Lars and Hansen, Andreas and Bauer, Christoph and Ehrlich, Stephan and Najibi, Asim and Grimme, Stefan},
+	date-added = {2020-09-07 08:57:06 +0200},
+	date-modified = {2020-09-07 08:57:12 +0200},
+	doi = {10.1039/C7CP04913G},
+	issue = {48},
+	journal = {Phys. Chem. Chem. Phys.},
+	pages = {32184-32215},
+	publisher = {The Royal Society of Chemistry},
+	title = {A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry{,} kinetics and noncovalent interactions},
+	url = {http://dx.doi.org/10.1039/C7CP04913G},
+	volume = {19},
+	year = {2017},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1039/C7CP04913G}}
 
 @article{Gould_2018b,
-	Abstract = {The GMTKN55 benchmarking protocol introduced by [Goerigk et al.{,} Phys. Chem. Chem. Phys.{,} 2017{,} 19{,} 32184] allows comprehensive analysis and ranking of density functional approximations with diverse chemical behaviours. But this comprehensiveness comes at a cost: GMTKN55{'}s 1500 benchmarking values require energies for around 2500 systems to be calculated{,} making it a costly exercise. This manuscript introduces three subsets of GMTKN55{,} consisting of 30{,} 100 and 150 systems{,} as `diet' substitutes for the full database. The subsets are chosen via a stochastic genetic approach{,} and consequently can reproduce key results of the full GMTKN55 database{,} including ranking of approximations. Some results are also included for the recent MGCDB84 database.},
-	Author = {Gould, Tim},
-	Date-Added = {2020-09-07 08:52:32 +0200},
-	Date-Modified = {2020-09-07 08:52:52 +0200},
-	Doi = {10.1039/C8CP05554H},
-	Issue = {44},
-	Journal = {Phys. Chem. Chem. Phys.},
-	Pages = {27735-27739},
-	Publisher = {The Royal Society of Chemistry},
-	Title = {`Diet GMTKN55' offers accelerated benchmarking through a representative subset approach},
-	Url = {http://dx.doi.org/10.1039/C8CP05554H},
-	Volume = {20},
-	Year = {2018},
+	abstract = {The GMTKN55 benchmarking protocol introduced by [Goerigk et al.{,} Phys. Chem. Chem. Phys.{,} 2017{,} 19{,} 32184] allows comprehensive analysis and ranking of density functional approximations with diverse chemical behaviours. But this comprehensiveness comes at a cost: GMTKN55{'}s 1500 benchmarking values require energies for around 2500 systems to be calculated{,} making it a costly exercise. This manuscript introduces three subsets of GMTKN55{,} consisting of 30{,} 100 and 150 systems{,} as `diet' substitutes for the full database. The subsets are chosen via a stochastic genetic approach{,} and consequently can reproduce key results of the full GMTKN55 database{,} including ranking of approximations. Some results are also included for the recent MGCDB84 database.},
+	author = {Gould, Tim},
+	date-added = {2020-09-07 08:52:32 +0200},
+	date-modified = {2020-09-07 08:52:52 +0200},
+	doi = {10.1039/C8CP05554H},
+	issue = {44},
+	journal = {Phys. Chem. Chem. Phys.},
+	pages = {27735-27739},
+	publisher = {The Royal Society of Chemistry},
+	title = {`Diet GMTKN55' offers accelerated benchmarking through a representative subset approach},
+	url = {http://dx.doi.org/10.1039/C8CP05554H},
+	volume = {20},
+	year = {2018},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1039/C8CP05554H}}
 
 @misc{Benali_2020,
-	Archiveprefix = {arXiv},
-	Author = {Anouar Benali and Kevin Gasperich and Kenneth D. Jordan and Thomas Applencourt and Ye Luo and M. Chandler Bennett and Jaron T. Krogel and Luke Shulenburger and Paul R. C. Kent and Pierre-Fran{\c c}ois Loos and Anthony Scemama and Michel Caffarel},
-	Date-Added = {2020-09-04 10:00:38 +0200},
-	Date-Modified = {2020-09-04 10:00:48 +0200},
-	Eprint = {2007.11673},
-	Primaryclass = {physics.chem-ph},
-	Title = {Towards a Systematic Improvement of the Fixed-Node Approximation in Diffusion Monte Carlo for Solids},
-	Year = {2020}}
+	archiveprefix = {arXiv},
+	author = {Anouar Benali and Kevin Gasperich and Kenneth D. Jordan and Thomas Applencourt and Ye Luo and M. Chandler Bennett and Jaron T. Krogel and Luke Shulenburger and Paul R. C. Kent and Pierre-Fran{\c c}ois Loos and Anthony Scemama and Michel Caffarel},
+	date-added = {2020-09-04 10:00:38 +0200},
+	date-modified = {2020-09-04 10:00:48 +0200},
+	eprint = {2007.11673},
+	primaryclass = {physics.chem-ph},
+	title = {Towards a Systematic Improvement of the Fixed-Node Approximation in Diffusion Monte Carlo for Solids},
+	year = {2020}}
 
 @article{Li_2020,
-	Author = {Li, Junhao and Yao, Yuan and Holmes, Adam A. and Otten, Matthew and Sun, Qiming and Sharma, Sandeep and Umrigar, C. J.},
-	Date-Added = {2020-09-04 09:50:25 +0200},
-	Date-Modified = {2020-09-04 09:50:32 +0200},
-	Doi = {10.1103/PhysRevResearch.2.012015},
-	Issue = {1},
-	Journal = {Phys. Rev. Research},
-	Month = {Jan},
-	Numpages = {6},
-	Pages = {012015},
-	Publisher = {American Physical Society},
-	Title = {Accurate many-body electronic structure near the basis set limit: Application to the chromium dimer},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevResearch.2.012015},
-	Volume = {2},
-	Year = {2020},
+	author = {Li, Junhao and Yao, Yuan and Holmes, Adam A. and Otten, Matthew and Sun, Qiming and Sharma, Sandeep and Umrigar, C. J.},
+	date-added = {2020-09-04 09:50:25 +0200},
+	date-modified = {2020-09-04 09:50:32 +0200},
+	doi = {10.1103/PhysRevResearch.2.012015},
+	issue = {1},
+	journal = {Phys. Rev. Research},
+	month = {Jan},
+	numpages = {6},
+	pages = {012015},
+	publisher = {American Physical Society},
+	title = {Accurate many-body electronic structure near the basis set limit: Application to the chromium dimer},
+	url = {https://link.aps.org/doi/10.1103/PhysRevResearch.2.012015},
+	volume = {2},
+	year = {2020},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevResearch.2.012015},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevResearch.2.012015}}
 
 @misc{Yao_2020,
-	Archiveprefix = {arXiv},
-	Author = {Yuan Yao and Emmanuel Giner and Junhao Li and Julien Toulouse and C. J. Umrigar},
-	Date-Added = {2020-09-04 09:49:40 +0200},
-	Date-Modified = {2020-09-04 09:49:50 +0200},
-	Eprint = {2004.10059},
-	Primaryclass = {physics.chem-ph},
-	Title = {Almost exact energies for the Gaussian-2 set with the semistochastic heat-bath configuration interaction method},
-	Year = {2020}}
+	archiveprefix = {arXiv},
+	author = {Yuan Yao and Emmanuel Giner and Junhao Li and Julien Toulouse and C. J. Umrigar},
+	date-added = {2020-09-04 09:49:40 +0200},
+	date-modified = {2020-09-04 09:49:50 +0200},
+	eprint = {2004.10059},
+	primaryclass = {physics.chem-ph},
+	title = {Almost exact energies for the Gaussian-2 set with the semistochastic heat-bath configuration interaction method},
+	year = {2020}}
 
 @misc{Loos_2020e,
-	Archiveprefix = {arXiv},
-	Author = {Pierre-Fran{\c c}ois Loos and Yann Damour and Anthony Scemama},
-	Date-Added = {2020-09-04 09:47:52 +0200},
-	Date-Modified = {2020-10-26 10:05:30 +0100},
-	Eprint = {2008.11145},
-	Primaryclass = {physics.chem-ph},
-	Title = {The performance of CIPSI on the ground state electronic energy of benzene},
-	Year = {2020}}
+	archiveprefix = {arXiv},
+	author = {Pierre-Fran{\c c}ois Loos and Yann Damour and Anthony Scemama},
+	date-added = {2020-09-04 09:47:52 +0200},
+	date-modified = {2020-10-26 10:05:30 +0100},
+	eprint = {2008.11145},
+	primaryclass = {physics.chem-ph},
+	title = {The performance of CIPSI on the ground state electronic energy of benzene},
+	year = {2020}}
 
 @article{Send_2011a,
-	Abstract = { We compile a 109-membered benchmark set of adiabatic excitation energies (AEEs) from high-resolution gas-phase experiments. Our data set includes a variety of organic chromophores with up to 46 atoms, radicals, and inorganic transition metal compounds. Many of the 91 molecules in our set are relevant to atmospheric chemistry, photovoltaics, photochemistry, and biology. The set samples valence, Rydberg, and ionic states of various spin multiplicities. As opposed to vertical excitation energies, AEEs are rigorously defined by energy differences of vibronic states, directly observable, and insensitive to errors in equilibrium structures. We supply optimized ground state and excited state structures, which allows fast and convenient evaluation of AEEs with two single-point energy calculations per system. We apply our benchmark set to assess the performance of time-dependent density functional theory using common semilocal functionals and the configuration interaction singles method. Hybrid functionals such as B3LYP and PBE0 yield the best results, with mean absolute errors around 0.3 eV. We also investigate basis set convergence and correlations between different methods and between the magnitude of the excited state relaxation energy and the AEE error. A smaller, 15-membered subset of AEEs is introduced and used to assess the correlated wave function methods CC2 and ADC(2). These methods improve upon hybrid TDDFT for systems with single-reference ground states but perform less well for radicals and small-gap transition metal compounds. None of the investigated methods reaches ``chemical accuracy'' of 0.05 eV in AEEs. },
-	Author = {Send, Robert and K{\"u}hn, Michael and Furche, Filipp},
-	Date-Added = {2020-09-04 09:11:20 +0200},
-	Date-Modified = {2020-09-04 09:11:44 +0200},
-	Doi = {10.1021/ct200272b},
-	Journal = {J. Chem. Theory Comput.},
-	Number = {8},
-	Pages = {2376-2386},
-	Title = {Assessing Excited State Methods by Adiabatic Excitation Energies},
-	Volume = {7},
-	Year = {2011},
+	abstract = { We compile a 109-membered benchmark set of adiabatic excitation energies (AEEs) from high-resolution gas-phase experiments. Our data set includes a variety of organic chromophores with up to 46 atoms, radicals, and inorganic transition metal compounds. Many of the 91 molecules in our set are relevant to atmospheric chemistry, photovoltaics, photochemistry, and biology. The set samples valence, Rydberg, and ionic states of various spin multiplicities. As opposed to vertical excitation energies, AEEs are rigorously defined by energy differences of vibronic states, directly observable, and insensitive to errors in equilibrium structures. We supply optimized ground state and excited state structures, which allows fast and convenient evaluation of AEEs with two single-point energy calculations per system. We apply our benchmark set to assess the performance of time-dependent density functional theory using common semilocal functionals and the configuration interaction singles method. Hybrid functionals such as B3LYP and PBE0 yield the best results, with mean absolute errors around 0.3 eV. We also investigate basis set convergence and correlations between different methods and between the magnitude of the excited state relaxation energy and the AEE error. A smaller, 15-membered subset of AEEs is introduced and used to assess the correlated wave function methods CC2 and ADC(2). These methods improve upon hybrid TDDFT for systems with single-reference ground states but perform less well for radicals and small-gap transition metal compounds. None of the investigated methods reaches ``chemical accuracy'' of 0.05 eV in AEEs. },
+	author = {Send, Robert and K{\"u}hn, Michael and Furche, Filipp},
+	date-added = {2020-09-04 09:11:20 +0200},
+	date-modified = {2020-09-04 09:11:44 +0200},
+	doi = {10.1021/ct200272b},
+	journal = {J. Chem. Theory Comput.},
+	number = {8},
+	pages = {2376-2386},
+	title = {Assessing Excited State Methods by Adiabatic Excitation Energies},
+	volume = {7},
+	year = {2011},
 	Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ct200272b},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1021/ct200272b}}
 
 @article{Winter_2013,
-	Abstract = {In the present study a benchmark set of medium-sized and large aromatic organic molecules with 10--78 atoms is presented. For this test set 0--0 transition energies measured in supersonic jets are compared to those calculated with DFT and the B3LYP functional{,} ADC(2){,} CC2 and the spin-scaled CC2 variants SOS-CC2 and SCS-CC2. Geometries of the ground and excited states have been optimized with these methods in polarized triple zeta basis sets. Zero-point vibrational corrections have been calculated with the same methods and basis sets. In addition the energies have been corrected by single point calculations with a triple zeta basis augmented with diffuse functions{,} aug-cc-pVTZ. The deviations of the theoretical results from experimental electronic origins{,} which have all been measured in the gas phase with high-resolution techniques{,} were evaluated. The accuracy of SOS-CC2 is comparable to that of unscaled CC2{,} whereas ADC(2) has slightly larger errors. The lowest errors were found for SCS-CC2. All correlated wave function methods provide significantly better results than DFT with the B3LYP functional. The effects of the energy corrections from the augmented basis set and the method-consistent calculation of the zero-point vibrational corrections are small. With this benchmark set reliable reference data for 0--0 transition energies for larger organic chromophores are available that can be used to benchmark the accuracy of other quantum chemical methods such as new DFT functionals or semi-empirical methods for excitation energies and structures and thereby augments available benchmark sets augments present benchmark sets which include mainly smaller molec},
-	Author = {Winter, Nina O. C. and Graf, Nora K. and Leutwyler, Samuel and H{\"a}ttig, Christof},
-	Date-Added = {2020-09-04 09:09:39 +0200},
-	Date-Modified = {2020-09-04 09:09:45 +0200},
-	Doi = {10.1039/C2CP42694C},
-	Issue = {18},
-	Journal = {Phys. Chem. Chem. Phys.},
-	Pages = {6623-6630},
-	Publisher = {The Royal Society of Chemistry},
-	Title = {Benchmarks for 0--0 Transitions of Aromatic Organic Molecules: DFT/B3LYP{,} ADC(2){,} CC2{,} SOS-CC2 and SCS-CC2 Compared to High-resolution Gas-Phase Data},
-	Url = {http://dx.doi.org/10.1039/C2CP42694C},
-	Volume = {15},
-	Year = {2013},
+	abstract = {In the present study a benchmark set of medium-sized and large aromatic organic molecules with 10--78 atoms is presented. For this test set 0--0 transition energies measured in supersonic jets are compared to those calculated with DFT and the B3LYP functional{,} ADC(2){,} CC2 and the spin-scaled CC2 variants SOS-CC2 and SCS-CC2. Geometries of the ground and excited states have been optimized with these methods in polarized triple zeta basis sets. Zero-point vibrational corrections have been calculated with the same methods and basis sets. In addition the energies have been corrected by single point calculations with a triple zeta basis augmented with diffuse functions{,} aug-cc-pVTZ. The deviations of the theoretical results from experimental electronic origins{,} which have all been measured in the gas phase with high-resolution techniques{,} were evaluated. The accuracy of SOS-CC2 is comparable to that of unscaled CC2{,} whereas ADC(2) has slightly larger errors. The lowest errors were found for SCS-CC2. All correlated wave function methods provide significantly better results than DFT with the B3LYP functional. The effects of the energy corrections from the augmented basis set and the method-consistent calculation of the zero-point vibrational corrections are small. With this benchmark set reliable reference data for 0--0 transition energies for larger organic chromophores are available that can be used to benchmark the accuracy of other quantum chemical methods such as new DFT functionals or semi-empirical methods for excitation energies and structures and thereby augments available benchmark sets augments present benchmark sets which include mainly smaller molec},
+	author = {Winter, Nina O. C. and Graf, Nora K. and Leutwyler, Samuel and H{\"a}ttig, Christof},
+	date-added = {2020-09-04 09:09:39 +0200},
+	date-modified = {2020-09-04 09:09:45 +0200},
+	doi = {10.1039/C2CP42694C},
+	issue = {18},
+	journal = {Phys. Chem. Chem. Phys.},
+	pages = {6623-6630},
+	publisher = {The Royal Society of Chemistry},
+	title = {Benchmarks for 0--0 Transitions of Aromatic Organic Molecules: DFT/B3LYP{,} ADC(2){,} CC2{,} SOS-CC2 and SCS-CC2 Compared to High-resolution Gas-Phase Data},
+	url = {http://dx.doi.org/10.1039/C2CP42694C},
+	volume = {15},
+	year = {2013},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1039/C2CP42694C}}
 
 @article{Kohn_2003,
-	Author = {K{\"o}hn, Andreas and H{\"a}ttig, Christof},
-	Date-Added = {2020-09-04 09:09:07 +0200},
-	Date-Modified = {2020-09-04 09:09:17 +0200},
-	Doi = {http://dx.doi.org/10.1063/1.1597635},
-	Journal = {J. Chem. Phys.},
-	Number = {10},
-	Pages = {5021--5036},
-	Title = {Analytic Gradients for Excited States in the Coupled-Cluster Model CC2 Employing the Resolution-Of-The-Identity Approximation},
-	Url = {http://scitation.aip.org/content/aip/journal/jcp/119/10/10.1063/1.1597635},
-	Volume = {119},
-	Year = {2003},
+	author = {K{\"o}hn, Andreas and H{\"a}ttig, Christof},
+	date-added = {2020-09-04 09:09:07 +0200},
+	date-modified = {2020-09-04 09:09:17 +0200},
+	doi = {http://dx.doi.org/10.1063/1.1597635},
+	journal = {J. Chem. Phys.},
+	number = {10},
+	pages = {5021--5036},
+	title = {Analytic Gradients for Excited States in the Coupled-Cluster Model CC2 Employing the Resolution-Of-The-Identity Approximation},
+	url = {http://scitation.aip.org/content/aip/journal/jcp/119/10/10.1063/1.1597635},
+	volume = {119},
+	year = {2003},
 	Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/119/10/10.1063/1.1597635},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1597635}}
 
 @article{Schriber_2017,
-	Author = {Schriber, Jeffrey B. and Evangelista, Francesco A.},
-	Date-Added = {2020-09-03 21:56:17 +0200},
-	Date-Modified = {2020-09-03 21:56:17 +0200},
-	Doi = {10.1021/acs.jctc.7b00725},
-	Journal = {J. Chem. Theory Comput.},
-	Month = {Oct},
-	Publisher = {American Chemical Society},
-	Title = {{Adaptive Configuration Interaction for Computing Challenging Electronic Excited States with Tunable Accuracy}},
-	Year = {2017},
+	author = {Schriber, Jeffrey B. and Evangelista, Francesco A.},
+	date-added = {2020-09-03 21:56:17 +0200},
+	date-modified = {2020-09-03 21:56:17 +0200},
+	doi = {10.1021/acs.jctc.7b00725},
+	journal = {J. Chem. Theory Comput.},
+	month = {Oct},
+	publisher = {American Chemical Society},
+	title = {{Adaptive Configuration Interaction for Computing Challenging Electronic Excited States with Tunable Accuracy}},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b00725}}
 
 @article{Li_2018,
-	Author = {J. Li and M. Otten and A. A. Holmes and S. Sharma and C. J. Umrigar},
-	Date-Added = {2020-09-03 21:55:13 +0200},
-	Date-Modified = {2020-09-03 21:55:13 +0200},
-	Doi = {10.1063/1.5055390},
-	Journal = {J. Chem. Phys.},
-	Pages = {214110},
-	Title = {Fast semistochastic heat-bath configuration interaction},
-	Volume = {149},
-	Year = {2018},
+	author = {J. Li and M. Otten and A. A. Holmes and S. Sharma and C. J. Umrigar},
+	date-added = {2020-09-03 21:55:13 +0200},
+	date-modified = {2020-09-03 21:55:13 +0200},
+	doi = {10.1063/1.5055390},
+	journal = {J. Chem. Phys.},
+	pages = {214110},
+	title = {Fast semistochastic heat-bath configuration interaction},
+	volume = {149},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.5055390}}
 
 @article{Coe_2014,
-	Author = {Coe, J.P. and Murphy, P. and Paterson, M.J.},
-	Date-Added = {2020-09-03 21:55:04 +0200},
-	Date-Modified = {2020-09-03 21:55:04 +0200},
-	Doi = {10.1016/j.cplett.2014.04.050},
-	File = {/Users/loos/Zotero/storage/69HR6V3N/Coe14.pdf},
-	Issn = {00092614},
-	Journal = {Chem. Phys. Lett.},
-	Language = {en},
-	Month = jun,
-	Pages = {46-52},
-	Shorttitle = {Applying {{Monte Carlo}} Configuration Interaction to Transition Metal Dimers},
-	Title = {Applying {{Monte Carlo}} Configuration Interaction to Transition Metal Dimers: {{Exploring}} the Balance between Static and Dynamic Correlation},
-	Volume = {604},
-	Year = {2014},
+	author = {Coe, J.P. and Murphy, P. and Paterson, M.J.},
+	date-added = {2020-09-03 21:55:04 +0200},
+	date-modified = {2020-09-03 21:55:04 +0200},
+	doi = {10.1016/j.cplett.2014.04.050},
+	file = {/Users/loos/Zotero/storage/69HR6V3N/Coe14.pdf},
+	issn = {00092614},
+	journal = {Chem. Phys. Lett.},
+	language = {en},
+	month = jun,
+	pages = {46-52},
+	shorttitle = {Applying {{Monte Carlo}} Configuration Interaction to Transition Metal Dimers},
+	title = {Applying {{Monte Carlo}} Configuration Interaction to Transition Metal Dimers: {{Exploring}} the Balance between Static and Dynamic Correlation},
+	volume = {604},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1016/j.cplett.2014.04.050}}
 
 @article{Coe_2018,
-	Author = {J. P. Coe},
-	Date-Added = {2020-09-03 21:55:04 +0200},
-	Date-Modified = {2020-09-03 21:55:04 +0200},
-	Doi = {10.1021/acs.jctc.8b00849},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {5739},
-	Title = {Machine Learning Configuration Interaction},
-	Volume = {14},
-	Year = {2018},
+	author = {J. P. Coe},
+	date-added = {2020-09-03 21:55:04 +0200},
+	date-modified = {2020-09-03 21:55:04 +0200},
+	doi = {10.1021/acs.jctc.8b00849},
+	journal = {J. Chem. Theory Comput.},
+	pages = {5739},
+	title = {Machine Learning Configuration Interaction},
+	volume = {14},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00849}}
 
 @article{Dash_2019,
-	Author = {Dash, Monika and Feldt, Jonas and Moroni, Saverio and Scemama, Anthony and Filippi, Claudia},
-	Date-Added = {2020-09-03 21:54:25 +0200},
-	Date-Modified = {2020-09-03 21:54:25 +0200},
-	Doi = {10.1021/acs.jctc.9b00476},
-	Issn = {1549-9618},
-	Journal = {J. Chem. Theory Comput.},
-	Month = {Sep},
-	Number = {9},
-	Pages = {4896--4906},
-	Publisher = {American Chemical Society},
-	Title = {{Excited States with Selected Configuration Interaction-Quantum Monte Carlo: Chemically Accurate Excitation Energies and Geometries}},
-	Volume = {15},
-	Year = {2019},
+	author = {Dash, Monika and Feldt, Jonas and Moroni, Saverio and Scemama, Anthony and Filippi, Claudia},
+	date-added = {2020-09-03 21:54:25 +0200},
+	date-modified = {2020-09-03 21:54:25 +0200},
+	doi = {10.1021/acs.jctc.9b00476},
+	issn = {1549-9618},
+	journal = {J. Chem. Theory Comput.},
+	month = {Sep},
+	number = {9},
+	pages = {4896--4906},
+	publisher = {American Chemical Society},
+	title = {{Excited States with Selected Configuration Interaction-Quantum Monte Carlo: Chemically Accurate Excitation Energies and Geometries}},
+	volume = {15},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b00476}}
 
 @article{Tubman_2016,
-	Author = {Tubman, Norm M. and Lee, Joonho and Takeshita, Tyler Y. and {Head-Gordon}, Martin and Whaley, K. Birgitta},
-	Date-Added = {2020-09-03 21:52:47 +0200},
-	Date-Modified = {2020-09-03 21:52:47 +0200},
-	Doi = {10.1063/1.4955109},
-	File = {/Users/loos/Zotero/storage/VDKR3CTF/Tubman16.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = jul,
-	Number = {4},
-	Pages = {044112},
-	Title = {A Deterministic Alternative to the Full Configuration Interaction Quantum {{Monte Carlo}} Method},
-	Volume = {145},
-	Year = {2016},
+	author = {Tubman, Norm M. and Lee, Joonho and Takeshita, Tyler Y. and {Head-Gordon}, Martin and Whaley, K. Birgitta},
+	date-added = {2020-09-03 21:52:47 +0200},
+	date-modified = {2020-09-03 21:52:47 +0200},
+	doi = {10.1063/1.4955109},
+	file = {/Users/loos/Zotero/storage/VDKR3CTF/Tubman16.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = jul,
+	number = {4},
+	pages = {044112},
+	title = {A Deterministic Alternative to the Full Configuration Interaction Quantum {{Monte Carlo}} Method},
+	volume = {145},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4955109}}
 
 @misc{Tubman_2018,
-	Archiveprefix = {arXiv},
-	Author = {Norm M. Tubman and Daniel S. Levine and Diptarka Hait and Martin Head-Gordon and K. Birgitta Whaley},
-	Date-Added = {2020-09-03 21:52:47 +0200},
-	Date-Modified = {2020-09-03 21:52:47 +0200},
-	Eprint = {1808.02049},
-	Primaryclass = {cond-mat.str-el},
-	Title = {An efficient deterministic perturbation theory for selected configuration interaction methods},
-	Year = {2018}}
+	archiveprefix = {arXiv},
+	author = {Norm M. Tubman and Daniel S. Levine and Diptarka Hait and Martin Head-Gordon and K. Birgitta Whaley},
+	date-added = {2020-09-03 21:52:47 +0200},
+	date-modified = {2020-09-03 21:52:47 +0200},
+	eprint = {1808.02049},
+	primaryclass = {cond-mat.str-el},
+	title = {An efficient deterministic perturbation theory for selected configuration interaction methods},
+	year = {2018}}
 
 @article{Tubman_2020,
-	Author = {Tubman, N. M. and Freeman, C. D. and Levine, D. S. and Hait, D. and Head-Gordon, M. and Whaley, K. B.},
-	Date-Added = {2020-09-03 21:52:47 +0200},
-	Date-Modified = {2020-09-03 21:52:47 +0200},
-	Doi = {10.1021/acs.jctc.8b00536},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {2139},
-	Title = {Modern Approaches to Exact Diagonalization and Selected Configuration Interaction with the Adaptive Sampling CI Method},
-	Volume = {16},
-	Year = {2020},
+	author = {Tubman, N. M. and Freeman, C. D. and Levine, D. S. and Hait, D. and Head-Gordon, M. and Whaley, K. B.},
+	date-added = {2020-09-03 21:52:47 +0200},
+	date-modified = {2020-09-03 21:52:47 +0200},
+	doi = {10.1021/acs.jctc.8b00536},
+	journal = {J. Chem. Theory Comput.},
+	pages = {2139},
+	title = {Modern Approaches to Exact Diagonalization and Selected Configuration Interaction with the Adaptive Sampling CI Method},
+	volume = {16},
+	year = {2020},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00536}}
 
 @article{Scemama_2013,
-	Author = {Scemama, Anthony and Caffarel, Michel and Oseret, Emmanuel and Jalby, William},
-	Date-Added = {2020-09-03 21:52:30 +0200},
-	Date-Modified = {2020-09-03 21:52:30 +0200},
-	Doi = {10.1002/jcc.23216},
-	Journal = {J. Comput. Chem.},
-	Pages = {938--951},
-	Title = {{Quantum Monte Carlo for large chemical systems: Implementing efficient strategies for petascale platforms and beyond}},
-	Volume = {34},
-	Year = {2013},
+	author = {Scemama, Anthony and Caffarel, Michel and Oseret, Emmanuel and Jalby, William},
+	date-added = {2020-09-03 21:52:30 +0200},
+	date-modified = {2020-09-03 21:52:30 +0200},
+	doi = {10.1002/jcc.23216},
+	journal = {J. Comput. Chem.},
+	pages = {938--951},
+	title = {{Quantum Monte Carlo for large chemical systems: Implementing efficient strategies for petascale platforms and beyond}},
+	volume = {34},
+	year = {2013},
 	Bdsk-Url-1 = {https://doi.org/10.1002/jcc.23216}}
 
 @misc{Scemama_2015,
-	Author = {Scemama, Anthony and Giner, Emmanuel and Applencourt, Thomas and Caffarel, Michel},
-	Date-Added = {2020-09-03 21:52:30 +0200},
-	Date-Modified = {2020-09-03 21:52:30 +0200},
-	Doi = {10.13140/RG.2.1.3187.9766},
-	Howpublished = {Pacifichem, Advances in Quantum Monte Carlo},
-	Month = {Dec},
-	Title = {{QMC using very large configuration interaction-type expansions}},
-	Year = {2015},
+	author = {Scemama, Anthony and Giner, Emmanuel and Applencourt, Thomas and Caffarel, Michel},
+	date-added = {2020-09-03 21:52:30 +0200},
+	date-modified = {2020-09-03 21:52:30 +0200},
+	doi = {10.13140/RG.2.1.3187.9766},
+	howpublished = {Pacifichem, Advances in Quantum Monte Carlo},
+	month = {Dec},
+	title = {{QMC using very large configuration interaction-type expansions}},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.13140/RG.2.1.3187.9766}}
 
 @article{Scemama_2016,
-	Author = {Scemama, Anthony and Applencourt, Thomas and Giner, Emmanuel and Caffarel, Michel},
-	Date-Added = {2020-09-03 21:52:30 +0200},
-	Date-Modified = {2020-09-03 21:52:30 +0200},
-	Doi = {10.1002/jcc.24382},
-	Issn = {0192-8651},
-	Journal = {J. Comput. Chem.},
-	Month = {Jun},
-	Number = {20},
-	Pages = {1866--1875},
-	Publisher = {Wiley-Blackwell},
-	Title = {Quantum Monte Carlo with very large multideterminant wavefunctions},
-	Url = {http://dx.doi.org/10.1002/jcc.24382},
-	Volume = {37},
-	Year = {2016},
+	author = {Scemama, Anthony and Applencourt, Thomas and Giner, Emmanuel and Caffarel, Michel},
+	date-added = {2020-09-03 21:52:30 +0200},
+	date-modified = {2020-09-03 21:52:30 +0200},
+	doi = {10.1002/jcc.24382},
+	issn = {0192-8651},
+	journal = {J. Comput. Chem.},
+	month = {Jun},
+	number = {20},
+	pages = {1866--1875},
+	publisher = {Wiley-Blackwell},
+	title = {Quantum Monte Carlo with very large multideterminant wavefunctions},
+	url = {http://dx.doi.org/10.1002/jcc.24382},
+	volume = {37},
+	year = {2016},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1002/jcc.24382}}
 
 @article{Scemama_2018,
-	Author = {Scemama, Anthony and Garniron, Yann and Caffarel, Michel and Loos, Pierre-Fran{\c c}ois},
-	Date-Added = {2020-09-03 21:52:30 +0200},
-	Date-Modified = {2020-09-03 21:52:30 +0200},
-	Doi = {10.1021/acs.jctc.7b01250},
-	Issn = {1549-9618},
-	Journal = {J. Chem. Theory Comput.},
-	Month = {Mar},
-	Number = {3},
-	Pages = {1395--1402},
-	Publisher = {American Chemical Society},
-	Title = {{Deterministic Construction of Nodal Surfaces within Quantum Monte Carlo: The Case of FeS}},
-	Volume = {14},
-	Year = {2018},
+	author = {Scemama, Anthony and Garniron, Yann and Caffarel, Michel and Loos, Pierre-Fran{\c c}ois},
+	date-added = {2020-09-03 21:52:30 +0200},
+	date-modified = {2020-09-03 21:52:30 +0200},
+	doi = {10.1021/acs.jctc.7b01250},
+	issn = {1549-9618},
+	journal = {J. Chem. Theory Comput.},
+	month = {Mar},
+	number = {3},
+	pages = {1395--1402},
+	publisher = {American Chemical Society},
+	title = {{Deterministic Construction of Nodal Surfaces within Quantum Monte Carlo: The Case of FeS}},
+	volume = {14},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b01250}}
 
 @article{Scemama_2018b,
-	Author = {Scemama, Anthony and Benali, Anouar and Jacquemin, Denis and Caffarel, Michel and Loos, Pierre-Fran{\c c}ois},
-	Date-Added = {2020-09-03 21:52:30 +0200},
-	Date-Modified = {2020-09-03 21:52:30 +0200},
-	Doi = {10.1063/1.5041327},
-	Issn = {0021-9606},
-	Journal = {J. Chem. Phys.},
-	Month = {Jul},
-	Number = {3},
-	Pages = {034108},
-	Publisher = {American Institute of Physics},
-	Title = {{Excitation energies from diffusion Monte Carlo using selected configuration interaction nodes}},
-	Volume = {149},
-	Year = {2018},
+	author = {Scemama, Anthony and Benali, Anouar and Jacquemin, Denis and Caffarel, Michel and Loos, Pierre-Fran{\c c}ois},
+	date-added = {2020-09-03 21:52:30 +0200},
+	date-modified = {2020-09-03 21:52:30 +0200},
+	doi = {10.1063/1.5041327},
+	issn = {0021-9606},
+	journal = {J. Chem. Phys.},
+	month = {Jul},
+	number = {3},
+	pages = {034108},
+	publisher = {American Institute of Physics},
+	title = {{Excitation energies from diffusion Monte Carlo using selected configuration interaction nodes}},
+	volume = {149},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.5041327}}
 
 @article{Scemama_2019,
-	Author = {A. Scemama and M. Caffarel and A. Benali and D. Jacquemin and P. F. Loos.},
-	Date-Added = {2020-09-03 21:52:30 +0200},
-	Date-Modified = {2020-09-03 21:52:30 +0200},
-	Doi = {10.1016/j.rechem.2019.100002},
-	Journal = {Res. Chem.},
-	Pages = {100002},
-	Title = {Influence of pseudopotentials on excitation energies from selected configuration interaction and diffusion Monte Carlo},
-	Volume = {1},
-	Year = {2019},
+	author = {A. Scemama and M. Caffarel and A. Benali and D. Jacquemin and P. F. Loos.},
+	date-added = {2020-09-03 21:52:30 +0200},
+	date-modified = {2020-09-03 21:52:30 +0200},
+	doi = {10.1016/j.rechem.2019.100002},
+	journal = {Res. Chem.},
+	pages = {100002},
+	title = {Influence of pseudopotentials on excitation energies from selected configuration interaction and diffusion Monte Carlo},
+	volume = {1},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.1016/j.rechem.2019.100002}}
 
 @article{Caffarel_2016a,
-	Author = {Caffarel, Michel and Applencourt, Thomas and Giner, Emmanuel and Scemama, Anthony},
-	Date-Added = {2020-09-03 21:51:56 +0200},
-	Date-Modified = {2020-09-03 21:51:56 +0200},
-	Doi = {10.1063/1.4947093},
-	Issn = {0021-9606},
-	Journal = {J. Chem. Phys.},
-	Month = {Apr},
-	Number = {15},
-	Pages = {151103},
-	Publisher = {American Institute of Physics},
-	Title = {{Communication: Toward an improved control of the fixed-node error in quantum Monte Carlo: The case of the water molecule}},
-	Volume = {144},
-	Year = {2016},
+	author = {Caffarel, Michel and Applencourt, Thomas and Giner, Emmanuel and Scemama, Anthony},
+	date-added = {2020-09-03 21:51:56 +0200},
+	date-modified = {2020-09-03 21:51:56 +0200},
+	doi = {10.1063/1.4947093},
+	issn = {0021-9606},
+	journal = {J. Chem. Phys.},
+	month = {Apr},
+	number = {15},
+	pages = {151103},
+	publisher = {American Institute of Physics},
+	title = {{Communication: Toward an improved control of the fixed-node error in quantum Monte Carlo: The case of the water molecule}},
+	volume = {144},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4947093}}
 
 @article{Casanova_Paes_2020,
-	Author = {M. Casanova-Paez and L. Goerigk},
-	Date-Added = {2020-09-02 12:01:37 +0200},
-	Date-Modified = {2020-09-02 12:02:23 +0200},
-	Doi = {10.1063/5.0018354},
-	Journal = {J. Chem. Phys.},
-	Pages = {064106},
-	Title = {Assessing the Tamm--Dancoff approximation, singlet--singlet, and singlet--triplet excitations with the latest long-range corrected double-hybrid density functionals},
-	Volume = {153},
-	Year = {2020},
+	author = {M. Casanova-Paez and L. Goerigk},
+	date-added = {2020-09-02 12:01:37 +0200},
+	date-modified = {2020-09-02 12:02:23 +0200},
+	doi = {10.1063/5.0018354},
+	journal = {J. Chem. Phys.},
+	pages = {064106},
+	title = {Assessing the Tamm--Dancoff approximation, singlet--singlet, and singlet--triplet excitations with the latest long-range corrected double-hybrid density functionals},
+	volume = {153},
+	year = {2020},
 	Bdsk-Url-1 = {https://doi.org/10.1063/5.0018354}}
 
 @article{Casanova-Paez_2019,
-	Author = {M. Casanova-Paez and M. B. Dardis and L. Goerigk},
-	Date-Added = {2020-09-02 11:59:59 +0200},
-	Date-Modified = {2020-09-02 12:01:35 +0200},
-	Doi = {10.1021/acs.jctc.9b00013},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {4735},
-	Title = {$\omega$B2PLYP and $\omega$B2GPPLYP: The First Two Double-Hybrid Density Functionals with Long-Range Correction Optimized for Excitation Energies},
-	Volume = {15},
-	Year = {2019},
+	author = {M. Casanova-Paez and M. B. Dardis and L. Goerigk},
+	date-added = {2020-09-02 11:59:59 +0200},
+	date-modified = {2020-09-02 12:01:35 +0200},
+	doi = {10.1021/acs.jctc.9b00013},
+	journal = {J. Chem. Theory Comput.},
+	pages = {4735},
+	title = {$\omega$B2PLYP and $\omega$B2GPPLYP: The First Two Double-Hybrid Density Functionals with Long-Range Correction Optimized for Excitation Energies},
+	volume = {15},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b00013}}
 
 @article{Schwabe_2017,
-	Author = {T. Schwabe and L. Goerigk},
-	Date-Added = {2020-09-02 11:57:54 +0200},
-	Date-Modified = {2020-09-02 11:58:54 +0200},
-	Doi = {10.1021/acs.jctc.7b00386},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {4307},
-	Title = {Time-Dependent Double-Hybrid Density Functionals with Spin-Component and Spin-Opposite Scaling},
-	Volume = {13},
+	author = {T. Schwabe and L. Goerigk},
+	date-added = {2020-09-02 11:57:54 +0200},
+	date-modified = {2020-09-02 11:58:54 +0200},
+	doi = {10.1021/acs.jctc.7b00386},
+	journal = {J. Chem. Theory Comput.},
+	pages = {4307},
+	title = {Time-Dependent Double-Hybrid Density Functionals with Spin-Component and Spin-Opposite Scaling},
+	volume = {13},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b00386}}
 
 @article{Loos_2020d,
-	Author = {Loos, Pierre-Francois and Jacquemin, Denis},
-	Date-Added = {2020-09-01 22:50:44 +0200},
-	Date-Modified = {2020-09-01 22:51:03 +0200},
-	Doi = {10.1021/acs.jpclett.9b03652},
-	Eprint = {https://doi.org/10.1021/acs.jpclett.9b03652},
-	Journal = {J. Phys. Chem. Lett.},
-	Number = {3},
-	Pages = {974--980},
-	Title = {Is ADC(3) as Accurate as CC3 for Valence and Rydberg Transition Energies?},
-	Url = {https://doi.org/10.1021/acs.jpclett.9b03652},
-	Volume = {11},
-	Year = {2020},
+	author = {Loos, Pierre-Francois and Jacquemin, Denis},
+	date-added = {2020-09-01 22:50:44 +0200},
+	date-modified = {2020-09-01 22:51:03 +0200},
+	doi = {10.1021/acs.jpclett.9b03652},
+	eprint = {https://doi.org/10.1021/acs.jpclett.9b03652},
+	journal = {J. Phys. Chem. Lett.},
+	number = {3},
+	pages = {974--980},
+	title = {Is ADC(3) as Accurate as CC3 for Valence and Rydberg Transition Energies?},
+	url = {https://doi.org/10.1021/acs.jpclett.9b03652},
+	volume = {11},
+	year = {2020},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.9b03652}}
 
 @article{Leang_2012,
-	Author = {Leang,Sarom S. and Zahariev,Federico and Gordon,Mark S.},
-	Date-Added = {2020-09-01 13:54:26 +0200},
-	Date-Modified = {2020-09-01 13:55:18 +0200},
-	Doi = {10.1063/1.3689445},
-	Eprint = {https://doi.org/10.1063/1.3689445},
-	Journal = {The Journal of Chemical Physics},
-	Number = {10},
-	Pages = {104101},
-	Title = {Benchmarking the performance of time-dependent density functional methods},
-	Url = {https://doi.org/10.1063/1.3689445},
-	Volume = {136},
-	Year = {2012},
+	author = {Leang,Sarom S. and Zahariev,Federico and Gordon,Mark S.},
+	date-added = {2020-09-01 13:54:26 +0200},
+	date-modified = {2020-09-01 13:55:18 +0200},
+	doi = {10.1063/1.3689445},
+	eprint = {https://doi.org/10.1063/1.3689445},
+	journal = {The Journal of Chemical Physics},
+	number = {10},
+	pages = {104101},
+	title = {Benchmarking the performance of time-dependent density functional methods},
+	url = {https://doi.org/10.1063/1.3689445},
+	volume = {136},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3689445}}
 
 @article{Zhao_2006,
-	Author = {Zhao,Yan and Truhlar,Donald G.},
-	Date-Added = {2020-09-01 13:52:35 +0200},
-	Date-Modified = {2020-09-01 13:52:45 +0200},
-	Doi = {10.1063/1.2202732},
-	Eprint = {https://doi.org/10.1063/1.2202732},
-	Journal = {The Journal of Chemical Physics},
-	Number = {22},
-	Pages = {224105},
-	Title = {Comparative assessment of density functional methods for 3d transition-metal chemistry},
-	Url = {https://doi.org/10.1063/1.2202732},
-	Volume = {124},
-	Year = {2006},
+	author = {Zhao,Yan and Truhlar,Donald G.},
+	date-added = {2020-09-01 13:52:35 +0200},
+	date-modified = {2020-09-01 13:52:45 +0200},
+	doi = {10.1063/1.2202732},
+	eprint = {https://doi.org/10.1063/1.2202732},
+	journal = {The Journal of Chemical Physics},
+	number = {22},
+	pages = {224105},
+	title = {Comparative assessment of density functional methods for 3d transition-metal chemistry},
+	url = {https://doi.org/10.1063/1.2202732},
+	volume = {124},
+	year = {2006},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.2202732}}
 
 @article{Kozma_2020,
-	Author = {B. Kozma and A. Tajti and B. Demoulin and R. Izsak and M. Nooijen and P. G. Szalay},
-	Date-Added = {2020-09-01 13:50:03 +0200},
-	Date-Modified = {2020-09-01 13:58:43 +0200},
-	Doi = {10.1021/acs.jctc.0c00154},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {4213--4225},
-	Title = {A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled Cluster Type Methods},
-	Volume = {16},
-	Year = {2020},
+	author = {B. Kozma and A. Tajti and B. Demoulin and R. Izsak and M. Nooijen and P. G. Szalay},
+	date-added = {2020-09-01 13:50:03 +0200},
+	date-modified = {2020-09-01 13:58:43 +0200},
+	doi = {10.1021/acs.jctc.0c00154},
+	journal = {J. Chem. Theory Comput.},
+	pages = {4213--4225},
+	title = {A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled Cluster Type Methods},
+	volume = {16},
+	year = {2020},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.0c00154}}
 
 @article{Williams_2020,
-	Author = {Williams, Kiel T and Yao, Yuan and Li, Jia and Chen, Li and Shi, Hao and Motta, Mario and Niu, Chunyao and Ray, Ushnish and Guo, Sheng and Anderson, Robert J and others},
-	Date-Added = {2020-09-01 13:30:18 +0200},
-	Date-Modified = {2020-09-01 13:30:18 +0200},
-	Doi = {10.1103/PhysRevX.10.011041},
-	Journal = {Phys. Rev. X},
-	Number = {1},
-	Pages = {011041},
-	Title = {Direct comparison of many-body methods for realistic electronic Hamiltonians},
-	Volume = {10},
-	Year = {2020},
+	author = {Williams, Kiel T and Yao, Yuan and Li, Jia and Chen, Li and Shi, Hao and Motta, Mario and Niu, Chunyao and Ray, Ushnish and Guo, Sheng and Anderson, Robert J and others},
+	date-added = {2020-09-01 13:30:18 +0200},
+	date-modified = {2020-09-01 13:30:18 +0200},
+	doi = {10.1103/PhysRevX.10.011041},
+	journal = {Phys. Rev. X},
+	number = {1},
+	pages = {011041},
+	title = {Direct comparison of many-body methods for realistic electronic Hamiltonians},
+	volume = {10},
+	year = {2020},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevX.10.011041}}
 
 @article{Motta_2017,
-	Author = {Motta, Mario and Ceperley, David M and Chan, Garnet Kin-Lic and Gomez, John A and Gull, Emanuel and Guo, Sheng and Jim{\'e}nez-Hoyos, Carlos A and Lan, Tran Nguyen and Li, Jia and Ma, Fengjie and others},
-	Date-Added = {2020-09-01 13:30:09 +0200},
-	Date-Modified = {2020-09-01 13:30:09 +0200},
-	Doi = {10.1103/PhysRevX.7.031059},
-	Journal = {Phys. Rev. X},
-	Number = {3},
-	Pages = {031059},
-	Title = {Towards the solution of the many-electron problem in real materials: Equation of state of the hydrogen chain with state-of-the-art many-body methods},
-	Volume = {7},
-	Year = {2017},
+	author = {Motta, Mario and Ceperley, David M and Chan, Garnet Kin-Lic and Gomez, John A and Gull, Emanuel and Guo, Sheng and Jim{\'e}nez-Hoyos, Carlos A and Lan, Tran Nguyen and Li, Jia and Ma, Fengjie and others},
+	date-added = {2020-09-01 13:30:09 +0200},
+	date-modified = {2020-09-01 13:30:09 +0200},
+	doi = {10.1103/PhysRevX.7.031059},
+	journal = {Phys. Rev. X},
+	number = {3},
+	pages = {031059},
+	title = {Towards the solution of the many-electron problem in real materials: Equation of state of the hydrogen chain with state-of-the-art many-body methods},
+	volume = {7},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevX.7.031059}}
 
 @article{Leblanc_2015,
-	Author = {LeBlanc, J. P. F. and Antipov, Andrey E and Becca, Federico and Bulik, Ireneusz W and Chan, Garnet Kin-Lic and Chung, Chia-Min and Deng, Youjin and Ferrero, Michel and Henderson, Thomas M and Jim{\'e}nez-Hoyos, Carlos A and others},
-	Date-Added = {2020-09-01 13:29:44 +0200},
-	Date-Modified = {2020-09-01 13:29:44 +0200},
-	Doi = {10.1103/PhysRevX.5.041041},
-	Journal = {Phys. Rev. X},
-	Number = {4},
-	Pages = {041041},
-	Title = {Solutions of the two-dimensional hubbard model: benchmarks and results from a wide range of numerical algorithms},
-	Volume = {5},
-	Year = {2015},
+	author = {LeBlanc, J. P. F. and Antipov, Andrey E and Becca, Federico and Bulik, Ireneusz W and Chan, Garnet Kin-Lic and Chung, Chia-Min and Deng, Youjin and Ferrero, Michel and Henderson, Thomas M and Jim{\'e}nez-Hoyos, Carlos A and others},
+	date-added = {2020-09-01 13:29:44 +0200},
+	date-modified = {2020-09-01 13:29:44 +0200},
+	doi = {10.1103/PhysRevX.5.041041},
+	journal = {Phys. Rev. X},
+	number = {4},
+	pages = {041041},
+	title = {Solutions of the two-dimensional hubbard model: benchmarks and results from a wide range of numerical algorithms},
+	volume = {5},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevX.5.041041}}
 
 @book{JensenBook,
-	Address = {New York},
-	Author = {F. Jensen},
-	Date-Added = {2020-09-01 10:35:29 +0200},
-	Date-Modified = {2020-09-01 10:36:20 +0200},
-	Edition = {3rd},
-	Keywords = {qmech},
-	Publisher = {Wiley},
-	Title = {Introduction to Computational Chemistry},
-	Year = {2017}}
+	address = {New York},
+	author = {F. Jensen},
+	date-added = {2020-09-01 10:35:29 +0200},
+	date-modified = {2020-09-01 10:36:20 +0200},
+	edition = {3rd},
+	keywords = {qmech},
+	publisher = {Wiley},
+	title = {Introduction to Computational Chemistry},
+	year = {2017}}
 
 @article{Loos_2019a,
-	Author = {P. F. Loos and D. Jacquemin},
-	Date-Added = {2020-08-31 21:57:32 +0200},
-	Date-Modified = {2020-08-31 21:58:34 +0200},
-	Doi = {10.1021/acs.jctc.8b01103},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {2481},
-	Title = {Chemically Accurate 0-0 Energies With not-so-Accurate Excited State Geometries},
-	Volume = {15},
-	Year = {2019},
+	author = {P. F. Loos and D. Jacquemin},
+	date-added = {2020-08-31 21:57:32 +0200},
+	date-modified = {2020-08-31 21:58:34 +0200},
+	doi = {10.1021/acs.jctc.8b01103},
+	journal = {J. Chem. Theory Comput.},
+	pages = {2481},
+	title = {Chemically Accurate 0-0 Energies With not-so-Accurate Excited State Geometries},
+	volume = {15},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b01103}}
 
 @article{Loos_2018,
-	Author = {Loos, Pierre-Fran{\c c}ois and Galland, Nicolas and Jacquemin, Denis},
-	Date-Added = {2020-08-31 21:56:45 +0200},
-	Date-Modified = {2020-08-31 21:56:45 +0200},
-	Doi = {10.1021/acs.jpclett.8b02058},
-	Journal = {J. Phys. Chem. Lett.},
-	Number = {16},
-	Pages = {4646--4651},
-	Title = {Theoretical 0--0 Energies with Chemical Accuracy},
-	Volume = {9},
-	Year = {2018},
+	author = {Loos, Pierre-Fran{\c c}ois and Galland, Nicolas and Jacquemin, Denis},
+	date-added = {2020-08-31 21:56:45 +0200},
+	date-modified = {2020-08-31 21:56:45 +0200},
+	doi = {10.1021/acs.jpclett.8b02058},
+	journal = {J. Phys. Chem. Lett.},
+	number = {16},
+	pages = {4646--4651},
+	title = {Theoretical 0--0 Energies with Chemical Accuracy},
+	volume = {9},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.8b02058}}
 
 @article{Stuke_2020,
-	Author = {Annika Stuke and Christian Kunkel and Dorothea Golze and Milica Todorovi{\'c} and Johannes T. Margraf and Karsten Reuter and Patrick Rinke and Harald Oberhofer},
-	Date-Added = {2020-08-31 15:12:43 +0200},
-	Date-Modified = {2020-08-31 15:12:43 +0200},
-	Doi = {10.1038/s41597-020-0385-y},
-	Journal = {Sci. Data},
-	Pages = {58},
-	Title = {Atomic Structures and Orbital Energies of 61,489 Crystal-Forming Organic Molecules},
-	Volume = {7},
-	Year = {2020},
+	author = {Annika Stuke and Christian Kunkel and Dorothea Golze and Milica Todorovi{\'c} and Johannes T. Margraf and Karsten Reuter and Patrick Rinke and Harald Oberhofer},
+	date-added = {2020-08-31 15:12:43 +0200},
+	date-modified = {2020-08-31 15:12:43 +0200},
+	doi = {10.1038/s41597-020-0385-y},
+	journal = {Sci. Data},
+	pages = {58},
+	title = {Atomic Structures and Orbital Energies of 61,489 Crystal-Forming Organic Molecules},
+	volume = {7},
+	year = {2020},
 	Bdsk-Url-1 = {https://doi.org/10.1038/s41597-020-0385-y}}
 
 @article{Tajti_2004,
-	Author = {Tajti,Attila and Szalay,P{\'e}ter G. and Cs{\'a}sz{\'a}r,Attila G. and K{\'a}llay,Mih{\'a}ly and Gauss,J{\"u}rgen and Valeev,Edward F. and Flowers,Bradley A. and V{\'a}zquez,Juana and Stanton,John F.},
-	Date-Added = {2020-08-31 14:12:23 +0200},
-	Date-Modified = {2020-08-31 14:12:30 +0200},
-	Doi = {10.1063/1.1811608},
-	Eprint = {https://doi.org/10.1063/1.1811608},
-	Journal = {The Journal of Chemical Physics},
-	Number = {23},
-	Pages = {11599-11613},
-	Title = {HEAT: High accuracy extrapolated ab initio thermochemistry},
-	Url = {https://doi.org/10.1063/1.1811608},
-	Volume = {121},
-	Year = {2004},
+	author = {Tajti,Attila and Szalay,P{\'e}ter G. and Cs{\'a}sz{\'a}r,Attila G. and K{\'a}llay,Mih{\'a}ly and Gauss,J{\"u}rgen and Valeev,Edward F. and Flowers,Bradley A. and V{\'a}zquez,Juana and Stanton,John F.},
+	date-added = {2020-08-31 14:12:23 +0200},
+	date-modified = {2020-08-31 14:12:30 +0200},
+	doi = {10.1063/1.1811608},
+	eprint = {https://doi.org/10.1063/1.1811608},
+	journal = {The Journal of Chemical Physics},
+	number = {23},
+	pages = {11599-11613},
+	title = {HEAT: High accuracy extrapolated ab initio thermochemistry},
+	url = {https://doi.org/10.1063/1.1811608},
+	volume = {121},
+	year = {2004},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1811608}}
 
 @article{Bomble_2006,
-	Author = {Bomble,Yannick J. and V{\'a}zquez,Juana and K{\'a}llay,Mih{\'a}ly and Michauk,Christine and Szalay,P{\'e}ter G. and Cs{\'a}sz{\'a}r,Attila G. and Gauss,J{\"u}rgen and Stanton,John F.},
-	Date-Added = {2020-08-31 14:11:45 +0200},
-	Date-Modified = {2020-08-31 14:11:52 +0200},
-	Doi = {10.1063/1.2206789},
-	Eprint = {https://doi.org/10.1063/1.2206789},
-	Journal = {The Journal of Chemical Physics},
-	Number = {6},
-	Pages = {064108},
-	Title = {High-accuracy extrapolated ab initio thermochemistry. II. Minor improvements to the protocol and a vital simplification},
-	Url = {https://doi.org/10.1063/1.2206789},
-	Volume = {125},
-	Year = {2006},
+	author = {Bomble,Yannick J. and V{\'a}zquez,Juana and K{\'a}llay,Mih{\'a}ly and Michauk,Christine and Szalay,P{\'e}ter G. and Cs{\'a}sz{\'a}r,Attila G. and Gauss,J{\"u}rgen and Stanton,John F.},
+	date-added = {2020-08-31 14:11:45 +0200},
+	date-modified = {2020-08-31 14:11:52 +0200},
+	doi = {10.1063/1.2206789},
+	eprint = {https://doi.org/10.1063/1.2206789},
+	journal = {The Journal of Chemical Physics},
+	number = {6},
+	pages = {064108},
+	title = {High-accuracy extrapolated ab initio thermochemistry. II. Minor improvements to the protocol and a vital simplification},
+	url = {https://doi.org/10.1063/1.2206789},
+	volume = {125},
+	year = {2006},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.2206789}}
 
 @article{Rezac_2011,
-	Author = {{\v R}ez{\'a}{\v c}, Jan and Riley, Kevin E. and Hobza, Pavel},
-	Date-Added = {2020-08-31 14:06:07 +0200},
-	Date-Modified = {2020-08-31 14:08:52 +0200},
-	Doi = {10.1021/ct2002946},
-	Eprint = {https://doi.org/10.1021/ct2002946},
-	Journal = {Journal of Chemical Theory and Computation},
-	Note = {PMID: 21836824},
-	Number = {8},
-	Pages = {2427-2438},
-	Title = {S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures},
-	Url = {https://doi.org/10.1021/ct2002946},
-	Volume = {7},
-	Year = {2011},
+	author = {{\v R}ez{\'a}{\v c}, Jan and Riley, Kevin E. and Hobza, Pavel},
+	date-added = {2020-08-31 14:06:07 +0200},
+	date-modified = {2020-08-31 14:08:52 +0200},
+	doi = {10.1021/ct2002946},
+	eprint = {https://doi.org/10.1021/ct2002946},
+	journal = {Journal of Chemical Theory and Computation},
+	note = {PMID: 21836824},
+	number = {8},
+	pages = {2427-2438},
+	title = {S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures},
+	url = {https://doi.org/10.1021/ct2002946},
+	volume = {7},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct2002946}}
 
 @article{Jureka_2006,
-	Abstract = {MP2 and CCSD(T) complete basis set (CBS) limit interaction energies and geometries for more than 100 DNA base pairs{,} amino acid pairs and model complexes are for the first time presented together. Extrapolation to the CBS limit is done by using two-point extrapolation methods and different basis sets (aug-cc-pVDZ -- aug-cc-pVTZ{,} aug-cc-pVTZ -- aug-cc-pVQZ{,} cc-pVTZ -- cc-pVQZ) are utilized. The CCSD(T) correction term{,} determined as a difference between CCSD(T) and MP2 interaction energies{,} is evaluated with smaller basis sets (6-31G** and cc-pVDZ). Two sets of complex geometries were used{,} optimized or experimental ones. The JSCH-2005 benchmark set{,} which is now available to the chemical community{,} can be used for testing lower-level computational methods. For the first screening the smaller training set (S22) containing 22 model complexes can be recommended. In this case larger basis sets were used for extrapolation to the CBS limit and also CCSD(T) and counterpoise-corrected MP2 optimized geometries were sometimes adopted.},
-	Author = {Jure{\v c}ka, Petr and {\v S}poner, Ji{\v r}{\'\i} and {\v C}ern{\'y}, Ji{\v r}{\'\i} and Hobza, Pavel},
-	Date-Added = {2020-08-31 14:04:15 +0200},
-	Date-Modified = {2020-08-31 14:05:40 +0200},
-	Doi = {10.1039/B600027D},
-	Issue = {17},
-	Journal = {Phys. Chem. Chem. Phys.},
-	Pages = {1985-1993},
-	Publisher = {The Royal Society of Chemistry},
-	Title = {Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes{,} DNA base pairs{,} and amino acid pairs},
-	Url = {http://dx.doi.org/10.1039/B600027D},
-	Volume = {8},
-	Year = {2006},
+	abstract = {MP2 and CCSD(T) complete basis set (CBS) limit interaction energies and geometries for more than 100 DNA base pairs{,} amino acid pairs and model complexes are for the first time presented together. Extrapolation to the CBS limit is done by using two-point extrapolation methods and different basis sets (aug-cc-pVDZ -- aug-cc-pVTZ{,} aug-cc-pVTZ -- aug-cc-pVQZ{,} cc-pVTZ -- cc-pVQZ) are utilized. The CCSD(T) correction term{,} determined as a difference between CCSD(T) and MP2 interaction energies{,} is evaluated with smaller basis sets (6-31G** and cc-pVDZ). Two sets of complex geometries were used{,} optimized or experimental ones. The JSCH-2005 benchmark set{,} which is now available to the chemical community{,} can be used for testing lower-level computational methods. For the first screening the smaller training set (S22) containing 22 model complexes can be recommended. In this case larger basis sets were used for extrapolation to the CBS limit and also CCSD(T) and counterpoise-corrected MP2 optimized geometries were sometimes adopted.},
+	author = {Jure{\v c}ka, Petr and {\v S}poner, Ji{\v r}{\'\i} and {\v C}ern{\'y}, Ji{\v r}{\'\i} and Hobza, Pavel},
+	date-added = {2020-08-31 14:04:15 +0200},
+	date-modified = {2020-08-31 14:05:40 +0200},
+	doi = {10.1039/B600027D},
+	issue = {17},
+	journal = {Phys. Chem. Chem. Phys.},
+	pages = {1985-1993},
+	publisher = {The Royal Society of Chemistry},
+	title = {Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes{,} DNA base pairs{,} and amino acid pairs},
+	url = {http://dx.doi.org/10.1039/B600027D},
+	volume = {8},
+	year = {2006},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1039/B600027D}}
 
 @article{Curtiss_1997,
-	Author = {Curtiss,Larry A. and Raghavachari,Krishnan and Redfern,Paul C. and Pople,John A.},
-	Date-Added = {2020-08-31 13:53:50 +0200},
-	Date-Modified = {2020-08-31 13:53:58 +0200},
-	Doi = {10.1063/1.473182},
-	Eprint = {https://doi.org/10.1063/1.473182},
-	Journal = {The Journal of Chemical Physics},
-	Number = {3},
-	Pages = {1063-1079},
-	Title = {Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation},
-	Url = {https://doi.org/10.1063/1.473182},
-	Volume = {106},
-	Year = {1997},
+	author = {Curtiss,Larry A. and Raghavachari,Krishnan and Redfern,Paul C. and Pople,John A.},
+	date-added = {2020-08-31 13:53:50 +0200},
+	date-modified = {2020-08-31 13:53:58 +0200},
+	doi = {10.1063/1.473182},
+	eprint = {https://doi.org/10.1063/1.473182},
+	journal = {The Journal of Chemical Physics},
+	number = {3},
+	pages = {1063-1079},
+	title = {Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation},
+	url = {https://doi.org/10.1063/1.473182},
+	volume = {106},
+	year = {1997},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.473182}}
 
 @article{Curtiss_2007,
-	Author = {Curtiss,Larry A. and Redfern,Paul C. and Raghavachari,Krishnan},
-	Date-Added = {2020-08-31 13:47:30 +0200},
-	Date-Modified = {2020-08-31 13:47:36 +0200},
-	Doi = {10.1063/1.2436888},
-	Eprint = {https://doi.org/10.1063/1.2436888},
-	Journal = {The Journal of Chemical Physics},
-	Number = {8},
-	Pages = {084108},
-	Title = {Gaussian-4 theory},
-	Url = {https://doi.org/10.1063/1.2436888},
-	Volume = {126},
-	Year = {2007},
+	author = {Curtiss,Larry A. and Redfern,Paul C. and Raghavachari,Krishnan},
+	date-added = {2020-08-31 13:47:30 +0200},
+	date-modified = {2020-08-31 13:47:36 +0200},
+	doi = {10.1063/1.2436888},
+	eprint = {https://doi.org/10.1063/1.2436888},
+	journal = {The Journal of Chemical Physics},
+	number = {8},
+	pages = {084108},
+	title = {Gaussian-4 theory},
+	url = {https://doi.org/10.1063/1.2436888},
+	volume = {126},
+	year = {2007},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.2436888}}
 
 @article{Curtiss_1998,
-	Author = {Curtiss,Larry A. and Raghavachari,Krishnan and Redfern,Paul C. and Rassolov,Vitaly and Pople,John A.},
-	Date-Added = {2020-08-31 13:46:42 +0200},
-	Date-Modified = {2020-08-31 13:46:53 +0200},
-	Doi = {10.1063/1.477422},
-	Eprint = {https://doi.org/10.1063/1.477422},
-	Journal = {The Journal of Chemical Physics},
-	Number = {18},
-	Pages = {7764-7776},
-	Title = {Gaussian-3 (G3) theory for molecules containing first and second-row atoms},
-	Url = {https://doi.org/10.1063/1.477422},
-	Volume = {109},
-	Year = {1998},
+	author = {Curtiss,Larry A. and Raghavachari,Krishnan and Redfern,Paul C. and Rassolov,Vitaly and Pople,John A.},
+	date-added = {2020-08-31 13:46:42 +0200},
+	date-modified = {2020-08-31 13:46:53 +0200},
+	doi = {10.1063/1.477422},
+	eprint = {https://doi.org/10.1063/1.477422},
+	journal = {The Journal of Chemical Physics},
+	number = {18},
+	pages = {7764-7776},
+	title = {Gaussian-3 (G3) theory for molecules containing first and second-row atoms},
+	url = {https://doi.org/10.1063/1.477422},
+	volume = {109},
+	year = {1998},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.477422}}
 
 @article{Pople_1989,
-	Author = {Pople,John A. and Head‐Gordon,Martin and Fox,Douglas J. and Raghavachari,Krishnan and Curtiss,Larry A.},
-	Date-Added = {2020-08-31 13:45:32 +0200},
-	Date-Modified = {2020-08-31 13:45:46 +0200},
-	Doi = {10.1063/1.456415},
-	Eprint = {https://doi.org/10.1063/1.456415},
-	Journal = {The Journal of Chemical Physics},
-	Number = {10},
-	Pages = {5622-5629},
-	Title = {Gaussian‐1 theory: A general procedure for prediction of molecular energies},
-	Url = {https://doi.org/10.1063/1.456415},
-	Volume = {90},
-	Year = {1989},
+	author = {Pople,John A. and Head‐Gordon,Martin and Fox,Douglas J. and Raghavachari,Krishnan and Curtiss,Larry A.},
+	date-added = {2020-08-31 13:45:32 +0200},
+	date-modified = {2020-08-31 13:45:46 +0200},
+	doi = {10.1063/1.456415},
+	eprint = {https://doi.org/10.1063/1.456415},
+	journal = {The Journal of Chemical Physics},
+	number = {10},
+	pages = {5622-5629},
+	title = {Gaussian‐1 theory: A general procedure for prediction of molecular energies},
+	url = {https://doi.org/10.1063/1.456415},
+	volume = {90},
+	year = {1989},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.456415}}
 
 @article{Christiansen_1995a,
-	Author = {Ove Christiansen and Henrik Koch and Poul J{\o}rgensen},
-	Date-Added = {2020-06-10 22:40:39 +0200},
-	Date-Modified = {2020-06-10 22:40:43 +0200},
-	Doi = {http://dx.doi.org/10.1016/0009-2614(95)00841-Q},
-	Issn = {0009-2614},
-	Journal = {Chem. Phys. Lett.},
-	Pages = {409--418},
-	Title = {The Second-Order Approximate Coupled Cluster Singles and Doubles Model CC2},
-	Url = {http://www.sciencedirect.com/science/article/pii/000926149500841Q},
-	Volume = {243},
-	Year = {1995},
+	author = {Ove Christiansen and Henrik Koch and Poul J{\o}rgensen},
+	date-added = {2020-06-10 22:40:39 +0200},
+	date-modified = {2020-06-10 22:40:43 +0200},
+	doi = {http://dx.doi.org/10.1016/0009-2614(95)00841-Q},
+	issn = {0009-2614},
+	journal = {Chem. Phys. Lett.},
+	pages = {409--418},
+	title = {The Second-Order Approximate Coupled Cluster Singles and Doubles Model CC2},
+	url = {http://www.sciencedirect.com/science/article/pii/000926149500841Q},
+	volume = {243},
+	year = {1995},
 	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/000926149500841Q},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1016/0009-2614(95)00841-Q}}
 
 @article{Wambach_1988,
-	Author = {J. Wambach},
-	Date-Added = {2020-06-06 09:01:23 +0200},
-	Date-Modified = {2020-06-06 09:02:27 +0200},
-	Doi = {10.1088/0034-4885/51/7/002},
-	Journal = {Rep. Prog. Phys.},
-	Pages = {989},
-	Title = {Damping of small-amplitude nuclear collective motion},
-	Volume = {51},
-	Year = {1988},
+	author = {J. Wambach},
+	date-added = {2020-06-06 09:01:23 +0200},
+	date-modified = {2020-06-06 09:02:27 +0200},
+	doi = {10.1088/0034-4885/51/7/002},
+	journal = {Rep. Prog. Phys.},
+	pages = {989},
+	title = {Damping of small-amplitude nuclear collective motion},
+	volume = {51},
+	year = {1988},
 	Bdsk-Url-1 = {https://doi.org/10.1088/0034-4885/51/7/002}}
 
 @article{Sakkinen_2012,
-	Author = {N. Sakkinen and M. Manninen and R. van Leeuwen},
-	Date-Added = {2020-06-01 08:10:19 +0200},
-	Date-Modified = {2020-06-01 08:13:10 +0200},
-	Doi = {10.1088/1367-2630/14/1/013032},
-	Journal = {New J. Phys.},
-	Pages = {013032},
-	Title = {The Kadanoff-Baym approach to double excitations in finite systems},
-	Volume = {14},
-	Year = {2012},
+	author = {N. Sakkinen and M. Manninen and R. van Leeuwen},
+	date-added = {2020-06-01 08:10:19 +0200},
+	date-modified = {2020-06-01 08:13:10 +0200},
+	doi = {10.1088/1367-2630/14/1/013032},
+	journal = {New J. Phys.},
+	pages = {013032},
+	title = {The Kadanoff-Baym approach to double excitations in finite systems},
+	volume = {14},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1088/1367-2630/14/1/013032}}
 
 @article{Myohanen_2008,
-	Author = {P. My{\"o}h{\"a}nen and A. Stan and G. Stefanucci and R. van Leeuwen},
-	Date-Added = {2020-06-01 08:08:11 +0200},
-	Date-Modified = {2020-06-01 08:09:43 +0200},
-	Doi = {10.1209/0295-5075/84/67001},
-	Journal = {Europhys. Lett.},
-	Pages = {67001},
-	Title = {A many-body approach to quantum transport dynamics: Initial correlations and memory effects},
-	Volume = {84},
-	Year = {2008},
+	author = {P. My{\"o}h{\"a}nen and A. Stan and G. Stefanucci and R. van Leeuwen},
+	date-added = {2020-06-01 08:08:11 +0200},
+	date-modified = {2020-06-01 08:09:43 +0200},
+	doi = {10.1209/0295-5075/84/67001},
+	journal = {Europhys. Lett.},
+	pages = {67001},
+	title = {A many-body approach to quantum transport dynamics: Initial correlations and memory effects},
+	volume = {84},
+	year = {2008},
 	Bdsk-Url-1 = {https://doi.org/10.1209/0295-5075/84/67001}}
 
 @article{Loos_2020b,
-	Author = {P. F. Loos and F. Lipparini and M. Boggio-Pasqua and A. Scemama and D. Jacquemin},
-	Date-Added = {2020-05-29 10:29:27 +0200},
-	Date-Modified = {2020-05-29 10:29:27 +0200},
-	Doi = {10.1021/acs.jctc.9b01216},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {1711},
-	Title = {A Mountaineering Strategy to Excited States: Highly-Accurate Energies and Benchmarks for Medium Size Molecules,},
-	Volume = {16},
-	Year = {2020},
+	author = {P. F. Loos and F. Lipparini and M. Boggio-Pasqua and A. Scemama and D. Jacquemin},
+	date-added = {2020-05-29 10:29:27 +0200},
+	date-modified = {2020-05-29 10:29:27 +0200},
+	doi = {10.1021/acs.jctc.9b01216},
+	journal = {J. Chem. Theory Comput.},
+	pages = {1711},
+	title = {A Mountaineering Strategy to Excited States: Highly-Accurate Energies and Benchmarks for Medium Size Molecules,},
+	volume = {16},
+	year = {2020},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b01216}}
 
 @article{Casida_2005,
-	Author = {M. E. Casida},
-	Date-Added = {2020-05-29 10:21:26 +0200},
-	Date-Modified = {2020-05-29 10:22:06 +0200},
-	Doi = {10.1063/1.1836757},
-	Journal = {J. Chem. Phys.},
-	Pages = {054111},
-	Title = {Propagator corrections to adiabatic time- dependent density-functional theory linear response theory},
-	Volume = {122},
-	Year = {2005},
+	author = {M. E. Casida},
+	date-added = {2020-05-29 10:21:26 +0200},
+	date-modified = {2020-05-29 10:22:06 +0200},
+	doi = {10.1063/1.1836757},
+	journal = {J. Chem. Phys.},
+	pages = {054111},
+	title = {Propagator corrections to adiabatic time- dependent density-functional theory linear response theory},
+	volume = {122},
+	year = {2005},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1836757}}
 
 @article{Casida_2016,
-	Author = {M. E. Casida and M. {Huix-Rotllant}},
-	Date-Added = {2020-05-29 10:10:35 +0200},
-	Date-Modified = {2020-05-29 10:19:41 +0200},
-	Doi = {10.1007/128_2015_632},
-	Journal = {Top. Curr. Chem.},
-	Pages = {1--60},
-	Title = {{{Many-Body Perturbation Theory (MBPT) and Time-Dependent Density-Functional Theory (TD-DFT): MBPT Insights About What Is Missing In, and Corrections To, the TD-DFT Adiabatic Approximation}}},
-	Volume = {368},
-	Year = {2016},
+	author = {M. E. Casida and M. {Huix-Rotllant}},
+	date-added = {2020-05-29 10:10:35 +0200},
+	date-modified = {2020-05-29 10:19:41 +0200},
+	doi = {10.1007/128_2015_632},
+	journal = {Top. Curr. Chem.},
+	pages = {1--60},
+	title = {{{Many-Body Perturbation Theory (MBPT) and Time-Dependent Density-Functional Theory (TD-DFT): MBPT Insights About What Is Missing In, and Corrections To, the TD-DFT Adiabatic Approximation}}},
+	volume = {368},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1007/128_2015_632}}
 
 @phdthesis{Rebolini_PhD,
-	Author = {E. Rebolini},
-	Date-Added = {2020-05-21 09:33:45 +0200},
-	Date-Modified = {2020-05-21 09:36:46 +0200},
-	School = {Universit{\'e} Pierre et Marie Curie --- Paris VI},
-	Title = {Range-Separated Density-Functional Theory for Molecular Excitation Energies},
-	Url = {https://tel.archives-ouvertes.fr/tel-01027522},
-	Year = {2014},
+	author = {E. Rebolini},
+	date-added = {2020-05-21 09:33:45 +0200},
+	date-modified = {2020-05-21 09:36:46 +0200},
+	school = {Universit{\'e} Pierre et Marie Curie --- Paris VI},
+	title = {Range-Separated Density-Functional Theory for Molecular Excitation Energies},
+	url = {https://tel.archives-ouvertes.fr/tel-01027522},
+	year = {2014},
 	Bdsk-Url-1 = {https://tel.archives-ouvertes.fr/tel-01027522}}
 
 @article{Baumeier_2012a,
-	Author = {Baumeier, Bj\"{o}rn and Andrienko, Denis and Rohlfing, Michael},
-	Date-Added = {2020-05-20 22:01:43 +0200},
-	Date-Modified = {2020-05-20 22:02:47 +0200},
-	Doi = {10.1021/ct300311x},
-	Journal = {J. Chem. Theory Comput.},
-	Number = {8},
-	Pages = {2790-2795},
-	Title = {Frenkel and Charge-Transfer Excitations in Donor--Acceptor Complexes From Many-Body Green's Functions Theory},
-	Volume = {8},
-	Year = {2012},
+	author = {Baumeier, Bj\"{o}rn and Andrienko, Denis and Rohlfing, Michael},
+	date-added = {2020-05-20 22:01:43 +0200},
+	date-modified = {2020-05-20 22:02:47 +0200},
+	doi = {10.1021/ct300311x},
+	journal = {J. Chem. Theory Comput.},
+	number = {8},
+	pages = {2790-2795},
+	title = {Frenkel and Charge-Transfer Excitations in Donor--Acceptor Complexes From Many-Body Green's Functions Theory},
+	volume = {8},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct300311x}}
 
 @article{Ma_2009a,
-	Author = {Ma, Yuchen and Rohlfing, Michael and Molteni, Carla},
-	Date-Added = {2020-05-20 21:59:09 +0200},
-	Date-Modified = {2020-05-20 21:59:12 +0200},
-	Doi = {10.1103/PhysRevB.80.241405},
-	Issue = {24},
-	Journal = {Phys. Rev. B},
-	Month = {Dec},
-	Numpages = {4},
-	Pages = {241405},
-	Publisher = {American Physical Society},
-	Title = {Excited states of biological chromophores studied using many-body perturbation theory: Effects of resonant-antiresonant coupling and dynamical screening},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.80.241405},
-	Volume = {80},
-	Year = {2009},
+	author = {Ma, Yuchen and Rohlfing, Michael and Molteni, Carla},
+	date-added = {2020-05-20 21:59:09 +0200},
+	date-modified = {2020-05-20 21:59:12 +0200},
+	doi = {10.1103/PhysRevB.80.241405},
+	issue = {24},
+	journal = {Phys. Rev. B},
+	month = {Dec},
+	numpages = {4},
+	pages = {241405},
+	publisher = {American Physical Society},
+	title = {Excited states of biological chromophores studied using many-body perturbation theory: Effects of resonant-antiresonant coupling and dynamical screening},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.80.241405},
+	volume = {80},
+	year = {2009},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.80.241405},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.80.241405}}
 
 @misc{QuAcK,
-	Author = {P. F. Loos},
-	Date-Added = {2020-05-19 16:22:58 +0200},
-	Date-Modified = {2020-05-19 16:22:58 +0200},
-	Doi = {10.5281/zenodo.3745928},
-	Note = {\url{https://github.com/pfloos/QuAcK}},
-	Publisher = {Zenodo},
-	Title = {{{QuAcK: a software for emerging quantum electronic structure methods}}},
-	Url = {https://github.com/pfloos/QuAcK},
-	Year = {2019},
+	author = {P. F. Loos},
+	date-added = {2020-05-19 16:22:58 +0200},
+	date-modified = {2020-05-19 16:22:58 +0200},
+	doi = {10.5281/zenodo.3745928},
+	note = {\url{https://github.com/pfloos/QuAcK}},
+	publisher = {Zenodo},
+	title = {{{QuAcK: a software for emerging quantum electronic structure methods}}},
+	url = {https://github.com/pfloos/QuAcK},
+	year = {2019},
 	Bdsk-Url-1 = {https://github.com/LCPQ/quantum_package},
 	Bdsk-Url-2 = {http://dx.doi.org/10.5281/zenodo.200970}}
 
 @article{Loos_2018a,
-	Author = {P. F. Loos and A. Scemama and A. Blondel and Y. Garniron and M. Caffarel and D. Jacquemin},
-	Date-Added = {2020-05-19 14:00:54 +0200},
-	Date-Modified = {2020-05-19 14:00:58 +0200},
-	Doi = {10.1021/acs.jctc.8b00406},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {4360},
-	Title = {A Mountaineering Strategy to Excited States: Highly-Accurate Reference Energies and Benchmarks},
-	Volume = {14},
-	Year = {2018},
+	author = {P. F. Loos and A. Scemama and A. Blondel and Y. Garniron and M. Caffarel and D. Jacquemin},
+	date-added = {2020-05-19 14:00:54 +0200},
+	date-modified = {2020-05-19 14:00:58 +0200},
+	doi = {10.1021/acs.jctc.8b00406},
+	journal = {J. Chem. Theory Comput.},
+	pages = {4360},
+	title = {A Mountaineering Strategy to Excited States: Highly-Accurate Reference Energies and Benchmarks},
+	volume = {14},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00406}}
 
 @article{Loos_2020c,
-	Author = {P. F. Loos and A. Scemama and M. Boggio-Pasqua and D. Jacquemin},
-	Date-Added = {2020-05-18 22:13:24 +0200},
-	Date-Modified = {2020-06-10 12:38:21 +0200},
-	Doi = {10.1021/acs.jctc.0c00227},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {3720--3736},
-	Title = {A Mountaineering Strategy to Excited States: Highly-Accurate Energies and Benchmarks for Exotic Molecules and Radicals},
-	Volume = {16},
-	Year = {2020},
+	author = {P. F. Loos and A. Scemama and M. Boggio-Pasqua and D. Jacquemin},
+	date-added = {2020-05-18 22:13:24 +0200},
+	date-modified = {2020-06-10 12:38:21 +0200},
+	doi = {10.1021/acs.jctc.0c00227},
+	journal = {J. Chem. Theory Comput.},
+	pages = {3720--3736},
+	title = {A Mountaineering Strategy to Excited States: Highly-Accurate Energies and Benchmarks for Exotic Molecules and Radicals},
+	volume = {16},
+	year = {2020},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b01216}}
 
 @article{Albrecht_1997,
-	Author = {Albrecht, Stefan and Onida, Giovanni and Reining, Lucia},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.55.10278},
-	Issue = {16},
-	Journal = {Phys. Rev. B},
-	Month = {Apr},
-	Numpages = {0},
-	Pages = {10278--10281},
-	Publisher = {American Physical Society},
-	Title = {Ab initio Calculation of the Quasiparticle Spectrum and Excitonic Effects in ${\mathrm{Li}}_{2}$O},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.55.10278},
-	Volume = {55},
-	Year = {1997},
+	author = {Albrecht, Stefan and Onida, Giovanni and Reining, Lucia},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.55.10278},
+	issue = {16},
+	journal = {Phys. Rev. B},
+	month = {Apr},
+	numpages = {0},
+	pages = {10278--10281},
+	publisher = {American Physical Society},
+	title = {Ab initio Calculation of the Quasiparticle Spectrum and Excitonic Effects in ${\mathrm{Li}}_{2}$O},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.55.10278},
+	volume = {55},
+	year = {1997},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.55.10278},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.55.10278}}
 
 @article{Almlof_1991,
-	Abstract = {It is shown how the energy denominators encountered in various schemes for electronics structure calculation can be removed by a Laplace transform technique. The method is applicable to a wide variety of electronic structure calculations.},
-	Author = {Jan Alml{\"{o}}f},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {https://doi.org/10.1016/0009-2614(91)80078-C},
-	Issn = {0009-2614},
-	Journal = {Chem. Phys. Lett.},
-	Number = {4},
-	Pages = {319 - 320},
-	Title = {Elimination of energy denominators in M{\o}ller---Plesset perturbation theory by a Laplace transform approach},
-	Url = {http://www.sciencedirect.com/science/article/pii/000926149180078C},
-	Volume = {181},
-	Year = {1991},
+	abstract = {It is shown how the energy denominators encountered in various schemes for electronics structure calculation can be removed by a Laplace transform technique. The method is applicable to a wide variety of electronic structure calculations.},
+	author = {Jan Alml{\"{o}}f},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {https://doi.org/10.1016/0009-2614(91)80078-C},
+	issn = {0009-2614},
+	journal = {Chem. Phys. Lett.},
+	number = {4},
+	pages = {319 - 320},
+	title = {Elimination of energy denominators in M{\o}ller---Plesset perturbation theory by a Laplace transform approach},
+	url = {http://www.sciencedirect.com/science/article/pii/000926149180078C},
+	volume = {181},
+	year = {1991},
 	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/000926149180078C},
 	Bdsk-Url-2 = {https://doi.org/10.1016/0009-2614(91)80078-C}}
 
 @article{Angeli_2012,
-	Author = {Angeli, Celestino and Cimiraglia, Renzo and Pastore, Mariachiara},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1080/00268976.2012.689872},
-	Issn = {0026-8976, 1362-3028},
-	Journal = {Mol. Phys.},
-	Language = {en},
-	Month = dec,
-	Number = {23},
-	Pages = {2963-2968},
-	Shorttitle = {A Comparison of Various Approaches in Internally Contracted Multireference Configuration Interaction},
-	Title = {A Comparison of Various Approaches in Internally Contracted Multireference Configuration Interaction: The Carbon Dimer as a Test Case},
-	Volume = {110},
-	Year = {2012},
+	author = {Angeli, Celestino and Cimiraglia, Renzo and Pastore, Mariachiara},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1080/00268976.2012.689872},
+	issn = {0026-8976, 1362-3028},
+	journal = {Mol. Phys.},
+	language = {en},
+	month = dec,
+	number = {23},
+	pages = {2963-2968},
+	shorttitle = {A Comparison of Various Approaches in Internally Contracted Multireference Configuration Interaction},
+	title = {A Comparison of Various Approaches in Internally Contracted Multireference Configuration Interaction: The Carbon Dimer as a Test Case},
+	volume = {110},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1080/00268976.2012.689872}}
 
 @article{Ary98,
-	Author = {F Aryasetiawan and O Gunnarsson},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1088/0034-4885/61/3/002},
-	Journal = {Rep. Prog. Phys.},
-	Month = {mar},
-	Number = {3},
-	Pages = {237--312},
-	Publisher = {{IOP} Publishing},
-	Title = {{The GW method}},
-	Url = {https://doi.org/10.1088%2F0034-4885%2F61%2F3%2F002},
-	Volume = {61},
-	Year = 1998,
+	author = {F Aryasetiawan and O Gunnarsson},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1088/0034-4885/61/3/002},
+	journal = {Rep. Prog. Phys.},
+	month = {mar},
+	number = {3},
+	pages = {237--312},
+	publisher = {{IOP} Publishing},
+	title = {{The GW method}},
+	url = {https://doi.org/10.1088%2F0034-4885%2F61%2F3%2F002},
+	volume = {61},
+	year = 1998,
 	Bdsk-Url-1 = {https://doi.org/10.1088%2F0034-4885%2F61%2F3%2F002},
 	Bdsk-Url-2 = {https://doi.org/10.1088/0034-4885/61/3/002}}
 
 @article{Azarias_2017,
-	Author = {Azarias, Clo{\'e} and Habert, Chlo\'{e} and Budz\'{a}k, \check{S}imon and Blase, Xavier and Duchemin, Ivan and Jacquemin, Denis},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1021/acs.jpca.7b05222},
-	Eprint = {https://doi.org/10.1021/acs.jpca.7b05222},
-	Journal = {J. Phys. Chem. A},
-	Note = {PMID: 28738157},
-	Number = {32},
-	Pages = {6122-6134},
-	Title = {Calculations of n→π* Transition Energies: Comparisons Between TD-DFT, ADC, CC, CASPT2, and BSE/GW Descriptions},
-	Url = {https://doi.org/10.1021/acs.jpca.7b05222},
-	Volume = {121},
-	Year = {2017},
+	author = {Azarias, Clo{\'e} and Habert, Chlo\'{e} and Budz\'{a}k, \check{S}imon and Blase, Xavier and Duchemin, Ivan and Jacquemin, Denis},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1021/acs.jpca.7b05222},
+	eprint = {https://doi.org/10.1021/acs.jpca.7b05222},
+	journal = {J. Phys. Chem. A},
+	note = {PMID: 28738157},
+	number = {32},
+	pages = {6122-6134},
+	title = {Calculations of n→π* Transition Energies: Comparisons Between TD-DFT, ADC, CC, CASPT2, and BSE/GW Descriptions},
+	url = {https://doi.org/10.1021/acs.jpca.7b05222},
+	volume = {121},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpca.7b05222}}
 
 @article{Barth_1995,
-	Abstract = {A recently derived approximation scheme for the polarisation propagator has been applied in a study of discrete K-shell excitations in N2 and CO. The new scheme referred to as second-order algebraic diagrammatic construction (ADC(2)) provides a direct approach to excitation energies and transition moments and gives a consistent second-order and first-order treatment for transitions to singly and doubly excited states, respectively. The essential computational requisite is a Hermitean eigenvalue problem in the space of single and double excitations on the Hartree-Fock ground state. Spin-free decoupled ADC(2) working equations for the singlet-singlet and singlet-triplet transitions have been formulated and employed. As the only additional approximation, the mixing between configurations with a different number of excited core-level electrons has been neglected. The calculated excitation energies of both the core-valence and core-Rydberg transitions are in very good agreement with the experimental data and are distinctly improved with respect to previous theoretical work, including extended configuration interaction treatments. The authors emphasise the accuracy achieved for the oscillator strengths which yield a very satisfactory description for the intensity ratios of the dipole-allowed transitions. The absolute dipole oscillator strengths are in excellent accord with the experimental values of Kay et al. (1977).},
-	Author = {A. Barth and J. Schirmer},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1088/0022-3700/18/5/008},
-	Journal = {J. Phys. B: At. Mol. Phys.},
-	Month = {mar},
-	Number = {5},
-	Pages = {867--885},
-	Publisher = {{IOP} Publishing},
-	Title = {Theoretical Core-level Excitation Spectra of N$_2$ and CO by a new Polarisation Propagator Method},
-	Url = {https://doi.org/10.1088%2F0022-3700%2F18%2F5%2F008},
-	Volume = {18},
-	Year = 1995,
+	abstract = {A recently derived approximation scheme for the polarisation propagator has been applied in a study of discrete K-shell excitations in N2 and CO. The new scheme referred to as second-order algebraic diagrammatic construction (ADC(2)) provides a direct approach to excitation energies and transition moments and gives a consistent second-order and first-order treatment for transitions to singly and doubly excited states, respectively. The essential computational requisite is a Hermitean eigenvalue problem in the space of single and double excitations on the Hartree-Fock ground state. Spin-free decoupled ADC(2) working equations for the singlet-singlet and singlet-triplet transitions have been formulated and employed. As the only additional approximation, the mixing between configurations with a different number of excited core-level electrons has been neglected. The calculated excitation energies of both the core-valence and core-Rydberg transitions are in very good agreement with the experimental data and are distinctly improved with respect to previous theoretical work, including extended configuration interaction treatments. The authors emphasise the accuracy achieved for the oscillator strengths which yield a very satisfactory description for the intensity ratios of the dipole-allowed transitions. The absolute dipole oscillator strengths are in excellent accord with the experimental values of Kay et al. (1977).},
+	author = {A. Barth and J. Schirmer},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1088/0022-3700/18/5/008},
+	journal = {J. Phys. B: At. Mol. Phys.},
+	month = {mar},
+	number = {5},
+	pages = {867--885},
+	publisher = {{IOP} Publishing},
+	title = {Theoretical Core-level Excitation Spectra of N$_2$ and CO by a new Polarisation Propagator Method},
+	url = {https://doi.org/10.1088%2F0022-3700%2F18%2F5%2F008},
+	volume = {18},
+	year = 1995,
 	Bdsk-Url-1 = {https://doi.org/10.1088%2F0022-3700%2F18%2F5%2F008},
 	Bdsk-Url-2 = {https://doi.org/10.1088/0022-3700/18/5/008}}
 
 @article{Bauernschmitt_1996,
-	Author = {Bauernschmitt,R{\"u}diger and Ahlrichs,Reinhart},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1063/1.471637},
-	Eprint = {https://doi.org/10.1063/1.471637},
-	Journal = {J. Chem. Phys.},
-	Number = {22},
-	Pages = {9047-9052},
-	Title = {Stability analysis for solutions of the closed shell Kohn--Sham equation},
-	Url = {https://doi.org/10.1063/1.471637},
-	Volume = {104},
-	Year = {1996},
+	author = {Bauernschmitt,R{\"u}diger and Ahlrichs,Reinhart},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1063/1.471637},
+	eprint = {https://doi.org/10.1063/1.471637},
+	journal = {J. Chem. Phys.},
+	number = {22},
+	pages = {9047-9052},
+	title = {Stability analysis for solutions of the closed shell Kohn--Sham equation},
+	url = {https://doi.org/10.1063/1.471637},
+	volume = {104},
+	year = {1996},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.471637}}
 
 @article{Baym_1961,
-	Author = {Baym, Gordon and Kadanoff, Leo P.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRev.124.287},
-	Issn = {0031-899X},
-	Journal = {Phys. Rev.},
-	Language = {en},
-	Month = oct,
-	Number = {2},
-	Pages = {287--299},
-	Title = {Conservation {{Laws}} and {{Correlation Functions}}},
-	Volume = {124},
-	Year = {1961},
+	author = {Baym, Gordon and Kadanoff, Leo P.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRev.124.287},
+	issn = {0031-899X},
+	journal = {Phys. Rev.},
+	language = {en},
+	month = oct,
+	number = {2},
+	pages = {287--299},
+	title = {Conservation {{Laws}} and {{Correlation Functions}}},
+	volume = {124},
+	year = {1961},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRev.124.287}}
 
 @article{Baym_1962,
-	Author = {Baym, Gordon},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRev.127.1391},
-	Issn = {0031-899X},
-	Journal = {Phys. Rev.},
-	Language = {en},
-	Month = aug,
-	Number = {4},
-	Pages = {1391--1401},
-	Title = {Self-{{Consistent Approximations}} in {{Many}}-{{Body Systems}}},
-	Volume = {127},
-	Year = {1962},
+	author = {Baym, Gordon},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRev.127.1391},
+	issn = {0031-899X},
+	journal = {Phys. Rev.},
+	language = {en},
+	month = aug,
+	number = {4},
+	pages = {1391--1401},
+	title = {Self-{{Consistent Approximations}} in {{Many}}-{{Body Systems}}},
+	volume = {127},
+	year = {1962},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRev.127.1391}}
 
 @article{Beigi_2003,
-	Author = {Ismail-Beigi, Sohrab and Louie, Steven G.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevLett.90.076401},
-	Issue = {7},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Feb},
-	Numpages = {4},
-	Pages = {076401},
-	Publisher = {American Physical Society},
-	Title = {Excited-State Forces within a First-Principles Green's Function Formalism},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevLett.90.076401},
-	Volume = {90},
-	Year = {2003},
+	author = {Ismail-Beigi, Sohrab and Louie, Steven G.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevLett.90.076401},
+	issue = {7},
+	journal = {Phys. Rev. Lett.},
+	month = {Feb},
+	numpages = {4},
+	pages = {076401},
+	publisher = {American Physical Society},
+	title = {Excited-State Forces within a First-Principles Green's Function Formalism},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.90.076401},
+	volume = {90},
+	year = {2003},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.90.076401},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.90.076401}}
 
 @article{Benedict_1998,
-	Author = {Benedict, Lorin X. and Shirley, Eric L. and Bohn, Robert B.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevLett.80.4514},
-	Issue = {20},
-	Journal = {Phys. Rev. Lett.},
-	Month = {May},
-	Numpages = {0},
-	Pages = {4514--4517},
-	Publisher = {American Physical Society},
-	Title = {Optical Absorption of Insulators and the Electron-Hole Interaction: An Ab Initio Calculation},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevLett.80.4514},
-	Volume = {80},
-	Year = {1998},
+	author = {Benedict, Lorin X. and Shirley, Eric L. and Bohn, Robert B.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevLett.80.4514},
+	issue = {20},
+	journal = {Phys. Rev. Lett.},
+	month = {May},
+	numpages = {0},
+	pages = {4514--4517},
+	publisher = {American Physical Society},
+	title = {Optical Absorption of Insulators and the Electron-Hole Interaction: An Ab Initio Calculation},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.80.4514},
+	volume = {80},
+	year = {1998},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.80.4514},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.80.4514}}
 
 @article{Bernardi_1990,
-	Author = {Bernardi, Fernando and De, Sushovan and Olivucci, Massimo and Robb, Michael A.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1021/ja00161a013},
-	Issn = {0002-7863},
-	Journal = {Journal of the American Chemical Society},
-	Language = {en},
-	Month = feb,
-	Number = {5},
-	Pages = {1737-1744},
-	Shorttitle = {The Mechanism of Ground-State-Forbidden Photochemical Pericyclic Reactions},
-	Title = {The Mechanism of Ground-State-Forbidden Photochemical Pericyclic Reactions: Evidence for Real Conical Intersections},
-	Volume = {112},
-	Year = {1990},
+	author = {Bernardi, Fernando and De, Sushovan and Olivucci, Massimo and Robb, Michael A.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1021/ja00161a013},
+	issn = {0002-7863},
+	journal = {Journal of the American Chemical Society},
+	language = {en},
+	month = feb,
+	number = {5},
+	pages = {1737-1744},
+	shorttitle = {The Mechanism of Ground-State-Forbidden Photochemical Pericyclic Reactions},
+	title = {The Mechanism of Ground-State-Forbidden Photochemical Pericyclic Reactions: Evidence for Real Conical Intersections},
+	volume = {112},
+	year = {1990},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ja00161a013}}
 
 @article{Bernardi_1996,
-	Author = {Bernardi, Fernando and Olivucci, Massimo and Robb, Michael A.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1039/cs9962500321},
-	Issn = {0306-0012, 1460-4744},
-	Journal = {Chem. Soc. Rev.},
-	Language = {en},
-	Number = {5},
-	Pages = {321},
-	Title = {Potential Energy Surface Crossings in Organic Photochemistry},
-	Volume = {25},
-	Year = {1996},
+	author = {Bernardi, Fernando and Olivucci, Massimo and Robb, Michael A.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1039/cs9962500321},
+	issn = {0306-0012, 1460-4744},
+	journal = {Chem. Soc. Rev.},
+	language = {en},
+	number = {5},
+	pages = {321},
+	title = {Potential Energy Surface Crossings in Organic Photochemistry},
+	volume = {25},
+	year = {1996},
 	Bdsk-Url-1 = {https://doi.org/10.1039/cs9962500321}}
 
 @article{Blase_1994,
-	Author = {Blase, X. and Zhu, Xuejun and Louie, Steven G.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.49.4973},
-	Issue = {7},
-	Journal = {Phys. Rev. B},
-	Month = {Feb},
-	Numpages = {0},
-	Pages = {4973--4980},
-	Publisher = {American Physical Society},
-	Title = {Self-Energy Effects on the Surface-State Energies of H-Si(111)1\ifmmode\times\else\texttimes\fi{}1},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.49.4973},
-	Volume = {49},
-	Year = {1994},
+	author = {Blase, X. and Zhu, Xuejun and Louie, Steven G.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.49.4973},
+	issue = {7},
+	journal = {Phys. Rev. B},
+	month = {Feb},
+	numpages = {0},
+	pages = {4973--4980},
+	publisher = {American Physical Society},
+	title = {Self-Energy Effects on the Surface-State Energies of H-Si(111)1\ifmmode\times\else\texttimes\fi{}1},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.49.4973},
+	volume = {49},
+	year = {1994},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.49.4973},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.49.4973}}
 
 @article{Blase_1995,
-	Author = {Blase, X. and Rubio, Angel and Louie, Steven G. and Cohen, Marvin L.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.51.6868},
-	Issue = {11},
-	Journal = {Phys. Rev. B},
-	Month = {Mar},
-	Numpages = {0},
-	Pages = {6868--6875},
-	Publisher = {American Physical Society},
-	Title = {Quasiparticle Band Structure of Bulk Hexagonal Boron Nitride and Related Systems},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.51.6868},
-	Volume = {51},
-	Year = {1995},
+	author = {Blase, X. and Rubio, Angel and Louie, Steven G. and Cohen, Marvin L.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.51.6868},
+	issue = {11},
+	journal = {Phys. Rev. B},
+	month = {Mar},
+	numpages = {0},
+	pages = {6868--6875},
+	publisher = {American Physical Society},
+	title = {Quasiparticle Band Structure of Bulk Hexagonal Boron Nitride and Related Systems},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.51.6868},
+	volume = {51},
+	year = {1995},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.51.6868},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.51.6868}}
 
 @article{Blase_2011,
-	Author = {Blase,X. and Attaccalite,C.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-21 08:47:22 +0200},
-	Doi = {10.1063/1.3655352},
-	Journal = {Appl. Phys. Lett.},
-	Number = {17},
-	Pages = {171909},
-	Title = {Charge-Transfer Excitations in Molecular Donor-Acceptor Complexes within the Many-Body Bethe-Salpeter Approach},
-	Volume = {99},
-	Year = {2011},
+	author = {Blase,X. and Attaccalite,C.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-21 08:47:22 +0200},
+	doi = {10.1063/1.3655352},
+	journal = {Appl. Phys. Lett.},
+	number = {17},
+	pages = {171909},
+	title = {Charge-Transfer Excitations in Molecular Donor-Acceptor Complexes within the Many-Body Bethe-Salpeter Approach},
+	volume = {99},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3655352}}
 
 @article{Blase_2018,
-	Author = {Blase, Xavier and Duchemin, Ivan and Jacquemin, Denis},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1039/C7CS00049A},
-	Issue = {3},
-	Journal = {Chem. Soc. Rev.},
-	Pages = {1022-1043},
-	Publisher = {The Royal Society of Chemistry},
-	Title = {The Bethe--Salpeter equation in chemistry: relations with TD-DFT{,} applications and challenges},
-	Url = {http://dx.doi.org/10.1039/C7CS00049A},
-	Volume = {47},
-	Year = {2018},
+	author = {Blase, Xavier and Duchemin, Ivan and Jacquemin, Denis},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1039/C7CS00049A},
+	issue = {3},
+	journal = {Chem. Soc. Rev.},
+	pages = {1022-1043},
+	publisher = {The Royal Society of Chemistry},
+	title = {The Bethe--Salpeter equation in chemistry: relations with TD-DFT{,} applications and challenges},
+	url = {http://dx.doi.org/10.1039/C7CS00049A},
+	volume = {47},
+	year = {2018},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1039/C7CS00049A}}
 
 @article{Botti_2004,
-	Author = {Botti, Silvana and Sottile, Francesco and Vast, Nathalie and Olevano, Valerio and Reining, Lucia and Weissker, Hans-Christian and Rubio, Angel and Onida, Giovanni and Del Sole, Rodolfo and Godby, R. W.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.69.155112},
-	Issue = {15},
-	Journal = {Phys. Rev. B},
-	Month = {Apr},
-	Numpages = {14},
-	Pages = {155112},
-	Publisher = {American Physical Society},
-	Title = {Long-Range Contribution to the Exchange-Correlation Kernel of Time-Dependent Density Functional Theory},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.69.155112},
-	Volume = {69},
-	Year = {2004},
+	author = {Botti, Silvana and Sottile, Francesco and Vast, Nathalie and Olevano, Valerio and Reining, Lucia and Weissker, Hans-Christian and Rubio, Angel and Onida, Giovanni and Del Sole, Rodolfo and Godby, R. W.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.69.155112},
+	issue = {15},
+	journal = {Phys. Rev. B},
+	month = {Apr},
+	numpages = {14},
+	pages = {155112},
+	publisher = {American Physical Society},
+	title = {Long-Range Contribution to the Exchange-Correlation Kernel of Time-Dependent Density Functional Theory},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.69.155112},
+	volume = {69},
+	year = {2004},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.69.155112},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.69.155112}}
 
 @article{Bredas_2014,
-	Author = {Bredas, Jean-Luc},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-21 08:48:23 +0200},
-	Doi = {10.1039/C3MH00098B},
-	File = {/Users/loos/Zotero/storage/QZ92N6TD/Bredas - 2014 - Mind the gap!.pdf},
-	Issn = {2051-6347, 2051-6355},
-	Journal = {Mater. Horiz.},
-	Language = {en},
-	Number = {1},
-	Pages = {17-19},
-	Title = {Mind the Gap!},
-	Volume = {1},
-	Year = {2014},
+	author = {Bredas, Jean-Luc},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-21 08:48:23 +0200},
+	doi = {10.1039/C3MH00098B},
+	file = {/Users/loos/Zotero/storage/QZ92N6TD/Bredas - 2014 - Mind the gap!.pdf},
+	issn = {2051-6347, 2051-6355},
+	journal = {Mater. Horiz.},
+	language = {en},
+	number = {1},
+	pages = {17-19},
+	title = {Mind the Gap!},
+	volume = {1},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1039/C3MH00098B}}
 
 @article{Bruneval_2008,
-	Author = {Bruneval, Fabien and Gonze, Xavier},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.78.085125},
-	Issue = {8},
-	Journal = {Phys. Rev. B},
-	Month = {Aug},
-	Numpages = {9},
-	Pages = {085125},
-	Publisher = {American Physical Society},
-	Title = {Accurate $GW$ self-energies in a plane-wave basis using only a few empty states: Towards large systems},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.78.085125},
-	Volume = {78},
-	Year = {2008},
+	author = {Bruneval, Fabien and Gonze, Xavier},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.78.085125},
+	issue = {8},
+	journal = {Phys. Rev. B},
+	month = {Aug},
+	numpages = {9},
+	pages = {085125},
+	publisher = {American Physical Society},
+	title = {Accurate $GW$ self-energies in a plane-wave basis using only a few empty states: Towards large systems},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.78.085125},
+	volume = {78},
+	year = {2008},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.78.085125},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.78.085125}}
 
 @article{Bruneval_2015,
-	Author = {Bruneval,Fabien and Hamed,Samia M. and Neaton,Jeffrey B.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-21 08:42:08 +0200},
-	Doi = {10.1063/1.4922489},
-	Journal = {J. Chem. Phys.},
-	Number = {24},
-	Pages = {244101},
-	Title = {A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules},
-	Volume = {142},
-	Year = {2015},
+	author = {Bruneval,Fabien and Hamed,Samia M. and Neaton,Jeffrey B.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-21 08:42:08 +0200},
+	doi = {10.1063/1.4922489},
+	journal = {J. Chem. Phys.},
+	number = {24},
+	pages = {244101},
+	title = {A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules},
+	volume = {142},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4922489}}
 
 @article{Bruneval_2016,
-	Author = {Bruneval, Fabien and Rangel, Tonatiuh and Hamed, Samia M. and Shao, Meiyue and Yang, Chao and Neaton, Jeffrey B.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1016/j.cpc.2016.06.019},
-	File = {/Users/loos/Zotero/storage/CHGLK37T/Bruneval_2016a.pdf},
-	Issn = {00104655},
-	Journal = {Comput. Phys. Commun.},
-	Language = {en},
-	Month = nov,
-	Pages = {149--161},
-	Shorttitle = {Molgw 1},
-	Title = {Molgw 1: {{Many}}-Body Perturbation Theory Software for Atoms, Molecules, and Clusters},
-	Volume = {208},
-	Year = {2016},
+	author = {Bruneval, Fabien and Rangel, Tonatiuh and Hamed, Samia M. and Shao, Meiyue and Yang, Chao and Neaton, Jeffrey B.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1016/j.cpc.2016.06.019},
+	file = {/Users/loos/Zotero/storage/CHGLK37T/Bruneval_2016a.pdf},
+	issn = {00104655},
+	journal = {Comput. Phys. Commun.},
+	language = {en},
+	month = nov,
+	pages = {149--161},
+	shorttitle = {Molgw 1},
+	title = {Molgw 1: {{Many}}-Body Perturbation Theory Software for Atoms, Molecules, and Clusters},
+	volume = {208},
+	year = {2016},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1016/j.cpc.2016.06.019}}
 
 @article{Campillo_1999,
-	Author = {Campillo, I. and Pitarke, J. M. and Rubio, A. and Zarate, E. and Echenique, P. M.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevLett.83.2230},
-	Issue = {11},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Sep},
-	Numpages = {0},
-	Pages = {2230--2233},
-	Publisher = {American Physical Society},
-	Title = {Inelastic Lifetimes of Hot Electrons in Real Metals},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevLett.83.2230},
-	Volume = {83},
-	Year = {1999},
+	author = {Campillo, I. and Pitarke, J. M. and Rubio, A. and Zarate, E. and Echenique, P. M.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevLett.83.2230},
+	issue = {11},
+	journal = {Phys. Rev. Lett.},
+	month = {Sep},
+	numpages = {0},
+	pages = {2230--2233},
+	publisher = {American Physical Society},
+	title = {Inelastic Lifetimes of Hot Electrons in Real Metals},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.83.2230},
+	volume = {83},
+	year = {1999},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.83.2230},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.83.2230}}
 
 @article{Caruso_2013,
-	Author = {Caruso, Fabio and Rohr, Daniel R. and Hellgren, Maria and Ren, Xinguo and Rinke, Patrick and Rubio, Angel and Scheffler, Matthias},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevLett.110.146403},
-	File = {/Users/loos/Zotero/storage/UF9F4UWC/Caruso_2013a.pdf;/Users/loos/Zotero/storage/Y3IZUCIX/Caruso_2013b.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = apr,
-	Number = {14},
-	Pages = {146403},
-	Shorttitle = {Bond {{Breaking}} and {{Bond Formation}}},
-	Title = {Bond {{Breaking}} and {{Bond Formation}}: {{How Electron Correlation}} Is {{Captured}} in {{Many}}-{{Body Perturbation Theory}} and {{Density}}-{{Functional Theory}}},
-	Volume = {110},
-	Year = {2013},
+	author = {Caruso, Fabio and Rohr, Daniel R. and Hellgren, Maria and Ren, Xinguo and Rinke, Patrick and Rubio, Angel and Scheffler, Matthias},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevLett.110.146403},
+	file = {/Users/loos/Zotero/storage/UF9F4UWC/Caruso_2013a.pdf;/Users/loos/Zotero/storage/Y3IZUCIX/Caruso_2013b.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = apr,
+	number = {14},
+	pages = {146403},
+	shorttitle = {Bond {{Breaking}} and {{Bond Formation}}},
+	title = {Bond {{Breaking}} and {{Bond Formation}}: {{How Electron Correlation}} Is {{Captured}} in {{Many}}-{{Body Perturbation Theory}} and {{Density}}-{{Functional Theory}}},
+	volume = {110},
+	year = {2013},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.110.146403}}
 
 @article{Caruso_2016,
-	Author = {F. Caruso and M. Dauth and M. J. {van Setten} and P. Rinke},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1021/acs.jctc.6b00774},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {5076},
-	Title = {Benchmark of GW Approaches for the GW100 Test Set},
-	Volume = {12},
-	Year = {2016},
+	author = {F. Caruso and M. Dauth and M. J. {van Setten} and P. Rinke},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1021/acs.jctc.6b00774},
+	journal = {J. Chem. Theory Comput.},
+	pages = {5076},
+	title = {Benchmark of GW Approaches for the GW100 Test Set},
+	volume = {12},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.6b00774}}
 
 @inbook{Casida_1995,
-	Author = {M. E. Casida},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1142/9789812830586_0005},
-	Editor = {D. P. Chong},
-	Pages = {155--192},
-	Publisher = {World Scientific, Singapore},
-	Series = {Recent Advances in Density Functional Methods},
-	Title = {Time-Dependent Density Functional Response Theory for Molecules},
-	Year = {1995},
+	author = {M. E. Casida},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1142/9789812830586_0005},
+	editor = {D. P. Chong},
+	pages = {155--192},
+	publisher = {World Scientific, Singapore},
+	series = {Recent Advances in Density Functional Methods},
+	title = {Time-Dependent Density Functional Response Theory for Molecules},
+	year = {1995},
 	Bdsk-Url-1 = {https://doi.org/10.1142/9789812830586_0005}}
 
 @article{Casida_1998,
-	Author = {Casida, Mark E. and Jamorski, Christine and Casida, Kim C. and Salahub, Dennis R.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1063/1.475855},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = mar,
-	Number = {11},
-	Pages = {4439-4449},
-	Shorttitle = {Molecular Excitation Energies to High-Lying Bound States from Time-Dependent Density-Functional Response Theory},
-	Title = {Molecular Excitation Energies to High-Lying Bound States from Time-Dependent Density-Functional Response Theory: {{Characterization}} and Correction of the Time-Dependent Local Density Approximation Ionization Threshold},
-	Volume = {108},
-	Year = {1998},
+	author = {Casida, Mark E. and Jamorski, Christine and Casida, Kim C. and Salahub, Dennis R.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1063/1.475855},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = mar,
+	number = {11},
+	pages = {4439-4449},
+	shorttitle = {Molecular Excitation Energies to High-Lying Bound States from Time-Dependent Density-Functional Response Theory},
+	title = {Molecular Excitation Energies to High-Lying Bound States from Time-Dependent Density-Functional Response Theory: {{Characterization}} and Correction of the Time-Dependent Local Density Approximation Ionization Threshold},
+	volume = {108},
+	year = {1998},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.475855}}
 
 @article{Casida_2000,
-	Author = {Casida, Mark E. and Salahub, Dennis R.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1063/1.1319649},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = nov,
-	Number = {20},
-	Pages = {8918-8935},
-	Shorttitle = {Asymptotic Correction Approach to Improving Approximate Exchange\textendash{}Correlation Potentials},
-	Title = {Asymptotic Correction Approach to Improving Approximate Exchange\textendash{}Correlation Potentials: {{Time}}-Dependent Density-Functional Theory Calculations of Molecular Excitation Spectra},
-	Volume = {113},
-	Year = {2000},
+	author = {Casida, Mark E. and Salahub, Dennis R.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1063/1.1319649},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = nov,
+	number = {20},
+	pages = {8918-8935},
+	shorttitle = {Asymptotic Correction Approach to Improving Approximate Exchange\textendash{}Correlation Potentials},
+	title = {Asymptotic Correction Approach to Improving Approximate Exchange\textendash{}Correlation Potentials: {{Time}}-Dependent Density-Functional Theory Calculations of Molecular Excitation Spectra},
+	volume = {113},
+	year = {2000},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1319649}}
 
 @article{Casida_2012,
-	Author = {Casida, M.E. and Huix-Rotllant, M.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Journal = {Annu. Rev. Phys. Chem.},
-	Pages = {287},
-	Title = {Progress in Time-Dependent Density-Functional Theory},
-	Volume = {63},
-	Year = {2012}}
+	author = {Casida, M.E. and Huix-Rotllant, M.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	journal = {Annu. Rev. Phys. Chem.},
+	pages = {287},
+	title = {Progress in Time-Dependent Density-Functional Theory},
+	volume = {63},
+	year = {2012}}
 
 @article{Christiansen_1995b,
-	Author = {Christiansen, Ove and Koch, Henrik and J{\o}rgensen, Poul},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-06-10 22:40:47 +0200},
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-	Journal = {J. Chem. Phys.},
-	Number = {17},
-	Pages = {7429-7441},
-	Title = {Response Functions in the CC3 Iterative Triple Excitation Model},
-	Url = {http://scitation.aip.org/content/aip/journal/jcp/103/17/10.1063/1.470315},
-	Volume = {103},
-	Year = {1995},
+	author = {Christiansen, Ove and Koch, Henrik and J{\o}rgensen, Poul},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-06-10 22:40:47 +0200},
+	doi = {http://dx.doi.org/10.1063/1.470315},
+	journal = {J. Chem. Phys.},
+	number = {17},
+	pages = {7429-7441},
+	title = {Response Functions in the CC3 Iterative Triple Excitation Model},
+	url = {http://scitation.aip.org/content/aip/journal/jcp/103/17/10.1063/1.470315},
+	volume = {103},
+	year = {1995},
 	Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/103/17/10.1063/1.470315},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.470315}}
 
 @article{Colonna_2014,
-	Author = {Nicola Colonna and Maria Hellgren and Stefano {de Gironcoli}},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.90.125150},
-	Journal = {Phys. Rev. B},
-	Pages = {125150},
-	Title = {Correlation Energy Within Exact-Exchange Adiabatic Connection Fluctuation-Dissipation Theory: Systematic Development and Simple Approximations},
-	Volume = {90},
-	Year = {2014},
+	author = {Nicola Colonna and Maria Hellgren and Stefano {de Gironcoli}},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.90.125150},
+	journal = {Phys. Rev. B},
+	pages = {125150},
+	title = {Correlation Energy Within Exact-Exchange Adiabatic Connection Fluctuation-Dissipation Theory: Systematic Development and Simple Approximations},
+	volume = {90},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.90.125150}}
 
 @article{Cudazzo_2010,
-	Author = {Cudazzo, Pierluigi and Attaccalite, Claudio and Tokatly, Ilya V. and Rubio, Angel},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevLett.104.226804},
-	Issue = {22},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Jun},
-	Numpages = {4},
-	Pages = {226804},
-	Publisher = {American Physical Society},
-	Title = {Strong Charge-Transfer Excitonic Effects and the Bose-Einstein Exciton Condensate in Graphane},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevLett.104.226804},
-	Volume = {104},
-	Year = {2010},
+	author = {Cudazzo, Pierluigi and Attaccalite, Claudio and Tokatly, Ilya V. and Rubio, Angel},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevLett.104.226804},
+	issue = {22},
+	journal = {Phys. Rev. Lett.},
+	month = {Jun},
+	numpages = {4},
+	pages = {226804},
+	publisher = {American Physical Society},
+	title = {Strong Charge-Transfer Excitonic Effects and the Bose-Einstein Exciton Condensate in Graphane},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.104.226804},
+	volume = {104},
+	year = {2010},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.104.226804},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.104.226804}}
 
 @article{Cudazzo_2013,
-	Author = {Cudazzo, Pierluigi and Gatti, Matteo and Rubio, Angel and Sottile, Francesco},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.88.195152},
-	Issue = {19},
-	Journal = {Phys. Rev. B},
-	Month = {Nov},
-	Numpages = {5},
-	Pages = {195152},
-	Publisher = {American Physical Society},
-	Title = {Frenkel versus charge-transfer exciton dispersion in molecular crystals},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.88.195152},
-	Volume = {88},
-	Year = {2013},
+	author = {Cudazzo, Pierluigi and Gatti, Matteo and Rubio, Angel and Sottile, Francesco},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.88.195152},
+	issue = {19},
+	journal = {Phys. Rev. B},
+	month = {Nov},
+	numpages = {5},
+	pages = {195152},
+	publisher = {American Physical Society},
+	title = {Frenkel versus charge-transfer exciton dispersion in molecular crystals},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.88.195152},
+	volume = {88},
+	year = {2013},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.88.195152},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.88.195152}}
 
 @article{Dahlen_2006,
-	Author = {Dahlen, Nils Erik and {van Leeuwen}, Robert and {von Barth}, Ulf},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevA.73.012511},
-	File = {/Users/loos/Zotero/storage/CIIYSNSE/Dahlen_2006.pdf},
-	Issn = {1050-2947, 1094-1622},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = jan,
-	Number = {1},
-	Pages = {012511},
-	Title = {Variational Energy Functionals of the {{Green}} Function and of the Density Tested on Molecules},
-	Volume = {73},
-	Year = {2006},
+	author = {Dahlen, Nils Erik and {van Leeuwen}, Robert and {von Barth}, Ulf},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevA.73.012511},
+	file = {/Users/loos/Zotero/storage/CIIYSNSE/Dahlen_2006.pdf},
+	issn = {1050-2947, 1094-1622},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = jan,
+	number = {1},
+	pages = {012511},
+	title = {Variational Energy Functionals of the {{Green}} Function and of the Density Tested on Molecules},
+	volume = {73},
+	year = {2006},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevA.73.012511}}
 
 @article{deGroot_1995,
-	Author = {{de Groot}, H. J. and Bobbert, P. A. and {van Haeringen}, W.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.52.11000},
-	Issn = {0163-1829, 1095-3795},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = oct,
-	Number = {15},
-	Pages = {11000--11007},
-	Title = {Self-Consistent {{{\emph{GW}}}} for a Quasi-One-Dimensional Semiconductor},
-	Volume = {52},
-	Year = {1995},
+	author = {{de Groot}, H. J. and Bobbert, P. A. and {van Haeringen}, W.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.52.11000},
+	issn = {0163-1829, 1095-3795},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = oct,
+	number = {15},
+	pages = {11000--11007},
+	title = {Self-Consistent {{{\emph{GW}}}} for a Quasi-One-Dimensional Semiconductor},
+	volume = {52},
+	year = {1995},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.52.11000}}
 
 @article{Delerue_2000,
-	Author = {Delerue, C. and Lannoo, M. and Allan, G.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevLett.84.2457},
-	Issue = {11},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Mar},
-	Numpages = {0},
-	Pages = {2457--2460},
-	Publisher = {American Physical Society},
-	Title = {Excitonic and Quasiparticle Gaps in Si Nanocrystals},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevLett.84.2457},
-	Volume = {84},
-	Year = {2000},
+	author = {Delerue, C. and Lannoo, M. and Allan, G.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevLett.84.2457},
+	issue = {11},
+	journal = {Phys. Rev. Lett.},
+	month = {Mar},
+	numpages = {0},
+	pages = {2457--2460},
+	publisher = {American Physical Society},
+	title = {Excitonic and Quasiparticle Gaps in Si Nanocrystals},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.84.2457},
+	volume = {84},
+	year = {2000},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.84.2457},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.84.2457}}
 
 @article{DiSabatino_2016,
-	Author = {Di Sabatino, Stefano and Berger, J. A. and Reining, Lucia and Romaniello, Pina},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.94.155141},
-	Issn = {2469-9950, 2469-9969},
-	Journal = {Physical Review B},
-	Language = {en},
-	Month = oct,
-	Number = {15},
-	Pages = {155141},
-	Shorttitle = {Photoemission Spectra from Reduced Density Matrices},
-	Title = {Photoemission Spectra from Reduced Density Matrices: {{The}} Band Gap in Strongly Correlated Systems},
-	Volume = {94},
-	Year = {2016},
+	author = {Di Sabatino, Stefano and Berger, J. A. and Reining, Lucia and Romaniello, Pina},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.94.155141},
+	issn = {2469-9950, 2469-9969},
+	journal = {Physical Review B},
+	language = {en},
+	month = oct,
+	number = {15},
+	pages = {155141},
+	shorttitle = {Photoemission Spectra from Reduced Density Matrices},
+	title = {Photoemission Spectra from Reduced Density Matrices: {{The}} Band Gap in Strongly Correlated Systems},
+	volume = {94},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.94.155141}}
 
 @article{DiSabatino_2019,
-	Author = {S. {Di Sabatino} and J. A. Berger and P. Romaniello},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1021/acs.jctc.9b00427},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {5080},
-	Title = {Many-Body Effective Energy Theory: Photoemission at Strong Correlation},
-	Volume = {15},
-	Year = {2019},
+	author = {S. {Di Sabatino} and J. A. Berger and P. Romaniello},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1021/acs.jctc.9b00427},
+	journal = {J. Chem. Theory Comput.},
+	pages = {5080},
+	title = {Many-Body Effective Energy Theory: Photoemission at Strong Correlation},
+	volume = {15},
+	year = {2019},
 	Bdsk-File-1 = {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},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b00427}}
 
 @article{Dreuw_2005,
-	Author = {Dreuw, Andreas and Head-Gordon, Martin},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1021/cr0505627},
-	File = {/Users/loos/Zotero/storage/WKGXAHGE/Dreuw_2005.pdf},
-	Issn = {0009-2665, 1520-6890},
-	Journal = {Chem. Rev.},
-	Language = {en},
-	Month = nov,
-	Number = {11},
-	Pages = {4009--4037},
-	Title = {Single-{{Reference}} Ab {{Initio Methods}} for the {{Calculation}} of {{Excited States}} of {{Large Molecules}}},
-	Volume = {105},
-	Year = {2005},
+	author = {Dreuw, Andreas and Head-Gordon, Martin},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1021/cr0505627},
+	file = {/Users/loos/Zotero/storage/WKGXAHGE/Dreuw_2005.pdf},
+	issn = {0009-2665, 1520-6890},
+	journal = {Chem. Rev.},
+	language = {en},
+	month = nov,
+	number = {11},
+	pages = {4009--4037},
+	title = {Single-{{Reference}} Ab {{Initio Methods}} for the {{Calculation}} of {{Excited States}} of {{Large Molecules}}},
+	volume = {105},
+	year = {2005},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1021/cr0505627}}
 
 @article{Duchemin_2019,
-	Author = {Duchemin,Ivan and Blase,Xavier},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-21 08:45:34 +0200},
-	Doi = {10.1063/1.5090605},
-	Journal = {J. Chem. Phys.},
-	Number = {17},
-	Pages = {174120},
-	Title = {Separable resolution-of-the-identity with all-electron Gaussian bases: Application to cubic-scaling RPA},
-	Volume = {150},
-	Year = {2019},
+	author = {Duchemin,Ivan and Blase,Xavier},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-21 08:45:34 +0200},
+	doi = {10.1063/1.5090605},
+	journal = {J. Chem. Phys.},
+	number = {17},
+	pages = {174120},
+	title = {Separable resolution-of-the-identity with all-electron Gaussian bases: Application to cubic-scaling RPA},
+	volume = {150},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.5090605}}
 
 @article{Duchemin_2020,
-	Author = {Ivan Duchemin and Xavier Blase},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-21 08:46:27 +0200},
-	Doi = {10.1021/acs.jctc.9b01235},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {1742--1756},
-	Title = {Robust Analytic-Continuation Approach to Many-Body {{GW}} Calculations},
-	Volume = {16},
-	Year = {2020},
+	author = {Ivan Duchemin and Xavier Blase},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-21 08:46:27 +0200},
+	doi = {10.1021/acs.jctc.9b01235},
+	journal = {J. Chem. Theory Comput.},
+	pages = {1742--1756},
+	title = {Robust Analytic-Continuation Approach to Many-Body {{GW}} Calculations},
+	volume = {16},
+	year = {2020},
 	Bdsk-Url-1 = {}}
 
 @article{Dunning_1989,
-	Author = {T. H. {Dunning, Jr.}},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1063/1.456153},
-	Journal = {J. Chem. Phys.},
-	Pages = {1007},
-	Title = {Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen},
-	Volume = {90},
-	Year = {1989},
+	author = {T. H. {Dunning, Jr.}},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1063/1.456153},
+	journal = {J. Chem. Phys.},
+	pages = {1007},
+	title = {Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen},
+	volume = {90},
+	year = {1989},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.456153}}
 
 @article{Elliott_2019,
-	Author = {Elliott, Joshua D. and Colonna, Nicola and Marsili, Margherita and Marzari, Nicola and Umari, Paolo},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1021/acs.jctc.8b01271},
-	Eprint = {https://doi.org/10.1021/acs.jctc.8b01271},
-	Journal = {J. Chem. Theory Comput.},
-	Note = {PMID: 30998361},
-	Number = {6},
-	Pages = {3710-3720},
-	Title = {Koopmans Meets Bethe--Salpeter: Excitonic Optical Spectra without GW},
-	Url = {https://doi.org/10.1021/acs.jctc.8b01271},
-	Volume = {15},
-	Year = {2019},
+	author = {Elliott, Joshua D. and Colonna, Nicola and Marsili, Margherita and Marzari, Nicola and Umari, Paolo},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1021/acs.jctc.8b01271},
+	eprint = {https://doi.org/10.1021/acs.jctc.8b01271},
+	journal = {J. Chem. Theory Comput.},
+	note = {PMID: 30998361},
+	number = {6},
+	pages = {3710-3720},
+	title = {Koopmans Meets Bethe--Salpeter: Excitonic Optical Spectra without GW},
+	url = {https://doi.org/10.1021/acs.jctc.8b01271},
+	volume = {15},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b01271}}
 
 @article{Faber_2011,
-	Author = {Faber, Carina and Attaccalite, Claudio and Olevano, V. and Runge, E. and Blase, X.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.83.115123},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = mar,
-	Number = {11},
-	Pages = {115123},
-	Title = {First-Principles {{GW}} Calculations for {{DNA}} and {{RNA}} Nucleobases},
-	Volume = {83},
-	Year = {2011},
+	author = {Faber, Carina and Attaccalite, Claudio and Olevano, V. and Runge, E. and Blase, X.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.83.115123},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = mar,
+	number = {11},
+	pages = {115123},
+	title = {First-Principles {{GW}} Calculations for {{DNA}} and {{RNA}} Nucleobases},
+	volume = {83},
+	year = {2011},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.83.115123}}
 
 @article{Faber_2011b,
-	Author = {Faber, Carina and Janssen, Jonathan Laflamme and C\^ot\'e, Michel and Runge, E. and Blase, X.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.84.155104},
-	Issue = {15},
-	Journal = {Phys. Rev. B},
-	Month = {Oct},
-	Numpages = {5},
-	Pages = {155104},
-	Publisher = {American Physical Society},
-	Title = {Electron-phonon coupling in the C${}_{60}$ fullerene within the many-body $GW$ approach},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.84.155104},
-	Volume = {84},
-	Year = {2011},
+	author = {Faber, Carina and Janssen, Jonathan Laflamme and C\^ot\'e, Michel and Runge, E. and Blase, X.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.84.155104},
+	issue = {15},
+	journal = {Phys. Rev. B},
+	month = {Oct},
+	numpages = {5},
+	pages = {155104},
+	publisher = {American Physical Society},
+	title = {Electron-phonon coupling in the C${}_{60}$ fullerene within the many-body $GW$ approach},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.84.155104},
+	volume = {84},
+	year = {2011},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.84.155104},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.84.155104}}
 
 @phdthesis{Faber_2014,
-	Author = {Faber, Carina},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	File = {/Users/loos/Zotero/storage/ZPJDQPGS/Faber_PhD.pdf},
-	School = {Universit{\'e} de Grenoble},
-	Shorttitle = {Electronic, Excitonic and Polaronic Properties of Organic Systems within the Many-Body {{GW}} and {{Bethe}}-{{Salpeter}} Formalisms},
-	Title = {Electronic, Excitonic and Polaronic Properties of Organic Systems within the Many-Body {{GW}} and {{Bethe}}-{{Salpeter}} Formalisms: Towards Organic Photovoltaics},
-	Type = {{{PhD Thesis}}},
-	Year = {2014}}
+	author = {Faber, Carina},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	file = {/Users/loos/Zotero/storage/ZPJDQPGS/Faber_PhD.pdf},
+	school = {Universit{\'e} de Grenoble},
+	shorttitle = {Electronic, Excitonic and Polaronic Properties of Organic Systems within the Many-Body {{GW}} and {{Bethe}}-{{Salpeter}} Formalisms},
+	title = {Electronic, Excitonic and Polaronic Properties of Organic Systems within the Many-Body {{GW}} and {{Bethe}}-{{Salpeter}} Formalisms: Towards Organic Photovoltaics},
+	type = {{{PhD Thesis}}},
+	year = {2014}}
 
 @book{Farid_1999,
-	Author = {Behnam Farid},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Editor = {N.H. March},
-	Publisher = {Imperial College Press, London},
-	Title = {Electron Correlation in the Solid State - Chapter 3},
-	Year = {1999}}
+	author = {Behnam Farid},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	editor = {N.H. March},
+	publisher = {Imperial College Press, London},
+	title = {Electron Correlation in the Solid State - Chapter 3},
+	year = {1999}}
 
 @article{Foerster_2011,
-	Author = {Foerster,D. and Koval,P. and S{\'a}nchez-Portal,D.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1063/1.3624731},
-	Eprint = {https://doi.org/10.1063/1.3624731},
-	Journal = {J. Chem. Phys.},
-	Number = {7},
-	Pages = {074105},
-	Title = {An O(N3) implementation of Hedin's GW approximation for molecules},
-	Url = {https://doi.org/10.1063/1.3624731},
-	Volume = {135},
-	Year = {2011},
+	author = {Foerster,D. and Koval,P. and S{\'a}nchez-Portal,D.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1063/1.3624731},
+	eprint = {https://doi.org/10.1063/1.3624731},
+	journal = {J. Chem. Phys.},
+	number = {7},
+	pages = {074105},
+	title = {An O(N3) implementation of Hedin's GW approximation for molecules},
+	url = {https://doi.org/10.1063/1.3624731},
+	volume = {135},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3624731}}
 
 @article{Friedrich_2006,
-	Author = {Friedrich, Christoph and Schindlmayr, Arno and Bl{\"u}gel, Stefan and Kotani, Takao},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.74.045104},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = jul,
-	Number = {4},
-	Pages = {045104},
-	Title = {Elimination of the Linearization Error in {{{\emph{GW}}}} Calculations Based on the Linearized Augmented-Plane-Wave Method},
-	Volume = {74},
-	Year = {2006},
+	author = {Friedrich, Christoph and Schindlmayr, Arno and Bl{\"u}gel, Stefan and Kotani, Takao},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.74.045104},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = jul,
+	number = {4},
+	pages = {045104},
+	title = {Elimination of the Linearization Error in {{{\emph{GW}}}} Calculations Based on the Linearized Augmented-Plane-Wave Method},
+	volume = {74},
+	year = {2006},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.74.045104}}
 
 @article{Fuchs_2008,
-	Author = {Fuchs, F. and R\"odl, C. and Schleife, A. and Bechstedt, F.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.78.085103},
-	Issue = {8},
-	Journal = {Phys. Rev. B},
-	Month = {Aug},
-	Numpages = {13},
-	Pages = {085103},
-	Publisher = {American Physical Society},
-	Title = {Efficient $\mathcal{O}({N}^{2})$ approach to solve the Bethe-Salpeter equation for excitonic bound states},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.78.085103},
-	Volume = {78},
-	Year = {2008},
+	author = {Fuchs, F. and R\"odl, C. and Schleife, A. and Bechstedt, F.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.78.085103},
+	issue = {8},
+	journal = {Phys. Rev. B},
+	month = {Aug},
+	numpages = {13},
+	pages = {085103},
+	publisher = {American Physical Society},
+	title = {Efficient $\mathcal{O}({N}^{2})$ approach to solve the Bethe-Salpeter equation for excitonic bound states},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.78.085103},
+	volume = {78},
+	year = {2008},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.78.085103},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.78.085103}}
 
 @article{Furche_2008,
-	Author = {Furche, Filipp},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1063/1.2977789},
-	File = {/Users/loos/Zotero/storage/FWTKB6W5/Furche_2008.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = sep,
-	Number = {11},
-	Pages = {114105},
-	Title = {Developing the Random Phase Approximation Into a Practical Post-{{Kohn}}\textendash{}{{Sham}} Correlation Model},
-	Volume = {129},
-	Year = {2008},
+	author = {Furche, Filipp},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1063/1.2977789},
+	file = {/Users/loos/Zotero/storage/FWTKB6W5/Furche_2008.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = sep,
+	number = {11},
+	pages = {114105},
+	title = {Developing the Random Phase Approximation Into a Practical Post-{{Kohn}}\textendash{}{{Sham}} Correlation Model},
+	volume = {129},
+	year = {2008},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.2977789}}
 
 @article{Gao_2020,
-	Author = {Gao, Weiwei and Chelikowsky, James R.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1021/acs.jctc.9b01025},
-	Eprint = {https://doi.org/10.1021/acs.jctc.9b01025},
-	Journal = {J. Chem. Theory Comput.},
-	Note = {PMID: 32074452},
-	Number = {4},
-	Pages = {2216-2223},
-	Title = {Accelerating Time-Dependent Density Functional Theory and GW Calculations for Molecules and Nanoclusters with Symmetry Adapted Interpolative Separable Density Fitting},
-	Url = {https://doi.org/10.1021/acs.jctc.9b01025},
-	Volume = {16},
-	Year = {2020},
+	author = {Gao, Weiwei and Chelikowsky, James R.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1021/acs.jctc.9b01025},
+	eprint = {https://doi.org/10.1021/acs.jctc.9b01025},
+	journal = {J. Chem. Theory Comput.},
+	note = {PMID: 32074452},
+	number = {4},
+	pages = {2216-2223},
+	title = {Accelerating Time-Dependent Density Functional Theory and GW Calculations for Molecules and Nanoclusters with Symmetry Adapted Interpolative Separable Density Fitting},
+	url = {https://doi.org/10.1021/acs.jctc.9b01025},
+	volume = {16},
+	year = {2020},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b01025}}
 
 @article{Garcia-Gonzalez_2001,
-	Author = {Garc{\'\i}a-Gonz{\'a}lez, P. and Godby, R. W.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.63.075112},
-	File = {/Users/loos/Zotero/storage/4MI62AQA/GarciaGonzales_2001.pdf},
-	Issn = {0163-1829, 1095-3795},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = jan,
-	Number = {7},
-	Pages = {075112},
-	Title = {Self-Consistent Calculation of Total Energies of the Electron Gas Using Many-Body Perturbation Theory},
-	Volume = {63},
-	Year = {2001},
+	author = {Garc{\'\i}a-Gonz{\'a}lez, P. and Godby, R. W.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.63.075112},
+	file = {/Users/loos/Zotero/storage/4MI62AQA/GarciaGonzales_2001.pdf},
+	issn = {0163-1829, 1095-3795},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = jan,
+	number = {7},
+	pages = {075112},
+	title = {Self-Consistent Calculation of Total Energies of the Electron Gas Using Many-Body Perturbation Theory},
+	volume = {63},
+	year = {2001},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.63.075112}}
 
 @article{Gatti_2007,
-	Author = {M. Gatti and V. Olevano and L. Reining,and I. V. Tokatly},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevLett.99.057401},
-	Journal = {Phys. Rev. Lett.},
-	Pages = {057401},
-	Title = {Transforming Nonlocality into a Frequency Dependence: A Shortcut to Spectroscopy},
-	Volume = {99},
-	Year = {2007},
+	author = {M. Gatti and V. Olevano and L. Reining,and I. V. Tokatly},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevLett.99.057401},
+	journal = {Phys. Rev. Lett.},
+	pages = {057401},
+	title = {Transforming Nonlocality into a Frequency Dependence: A Shortcut to Spectroscopy},
+	volume = {99},
+	year = {2007},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.99.057401}}
 
 @article{Giustino_2010,
-	Author = {Giustino, Feliciano and Cohen, Marvin L. and Louie, Steven G.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.81.115105},
-	Issue = {11},
-	Journal = {Phys. Rev. B},
-	Month = {Mar},
-	Numpages = {17},
-	Pages = {115105},
-	Publisher = {American Physical Society},
-	Title = {GW method with the self-consistent Sternheimer equation},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.81.115105},
-	Volume = {81},
-	Year = {2010},
+	author = {Giustino, Feliciano and Cohen, Marvin L. and Louie, Steven G.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.81.115105},
+	issue = {11},
+	journal = {Phys. Rev. B},
+	month = {Mar},
+	numpages = {17},
+	pages = {115105},
+	publisher = {American Physical Society},
+	title = {GW method with the self-consistent Sternheimer equation},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.81.115105},
+	volume = {81},
+	year = {2010},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.81.115105},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.81.115105}}
 
 @article{Godby_1988,
-	Author = {Godby, R. W. and Schl\"uter, M. and Sham, L. J.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.37.10159},
-	Issue = {17},
-	Journal = {Phys. Rev. B},
-	Month = {Jun},
-	Numpages = {0},
-	Pages = {10159--10175},
-	Publisher = {American Physical Society},
-	Title = {Self-Energy Operators and Exchange-Correlation Potentials in Semiconductors},
-	Url = {http://link.aps.org/doi/10.1103/PhysRevB.37.10159},
-	Volume = {37},
-	Year = {1988},
+	author = {Godby, R. W. and Schl\"uter, M. and Sham, L. J.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.37.10159},
+	issue = {17},
+	journal = {Phys. Rev. B},
+	month = {Jun},
+	numpages = {0},
+	pages = {10159--10175},
+	publisher = {American Physical Society},
+	title = {Self-Energy Operators and Exchange-Correlation Potentials in Semiconductors},
+	url = {http://link.aps.org/doi/10.1103/PhysRevB.37.10159},
+	volume = {37},
+	year = {1988},
 	Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.37.10159},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.37.10159}}
 
 @article{Golze_2019rev,
-	Author = {Golze, Dorothea and Dvorak, Marc and Rinke, Patrick},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.3389/fchem.2019.00377},
-	Issn = {2296-2646},
-	Journal = {Front. Chem.},
-	Pages = {377},
-	Title = {The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy},
-	Url = {https://www.frontiersin.org/article/10.3389/fchem.2019.00377},
-	Volume = {7},
-	Year = {2019},
+	author = {Golze, Dorothea and Dvorak, Marc and Rinke, Patrick},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.3389/fchem.2019.00377},
+	issn = {2296-2646},
+	journal = {Front. Chem.},
+	pages = {377},
+	title = {The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy},
+	url = {https://www.frontiersin.org/article/10.3389/fchem.2019.00377},
+	volume = {7},
+	year = {2019},
 	Bdsk-Url-1 = {https://www.frontiersin.org/article/10.3389/fchem.2019.00377},
 	Bdsk-Url-2 = {https://doi.org/10.3389/fchem.2019.00377}}
 
 @article{Gui_2018,
-	Author = {Gui, Xin and Holzer, Christof and Klopper, Wim},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-21 08:44:46 +0200},
-	Doi = {10.1021/acs.jctc.8b00014},
-	Journal = {J. Chem. Theory Comput.},
-	Number = {4},
-	Pages = {2127-2136},
-	Title = {Accuracy Assessment of GW Starting Points for Calculating Molecular Excitation Energies Using the Bethe--Salpeter Formalism},
-	Volume = {14},
-	Year = {2018},
+	author = {Gui, Xin and Holzer, Christof and Klopper, Wim},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-21 08:44:46 +0200},
+	doi = {10.1021/acs.jctc.8b00014},
+	journal = {J. Chem. Theory Comput.},
+	number = {4},
+	pages = {2127-2136},
+	title = {Accuracy Assessment of GW Starting Points for Calculating Molecular Excitation Energies Using the Bethe--Salpeter Formalism},
+	volume = {14},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00014}}
 
 @article{Hanke_1980,
-	Author = {W. Hanke and L. J. Sham},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.21.4656},
-	Journal = {Phys. Rev. B},
-	Pages = {4656},
-	Title = {Many-Particle Effects in the Optical Spectrum of a Semiconductor},
-	Volume = {21},
-	Year = {1980},
+	author = {W. Hanke and L. J. Sham},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.21.4656},
+	journal = {Phys. Rev. B},
+	pages = {4656},
+	title = {Many-Particle Effects in the Optical Spectrum of a Semiconductor},
+	volume = {21},
+	year = {1980},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.21.4656}}
 
 @article{Haser_1992,
-	Author = {H{\"{a}}ser,Marco and Alml{\"{o}}f,Jan},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1063/1.462485},
-	Eprint = {https://doi.org/10.1063/1.462485},
-	Journal = {J. Chem. Phys.},
-	Number = {1},
-	Pages = {489-494},
-	Title = {Laplace transform techniques in M{\o}ller--Plesset perturbation theory},
-	Url = {https://doi.org/10.1063/1.462485},
-	Volume = {96},
-	Year = {1992},
+	author = {H{\"{a}}ser,Marco and Alml{\"{o}}f,Jan},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1063/1.462485},
+	eprint = {https://doi.org/10.1063/1.462485},
+	journal = {J. Chem. Phys.},
+	number = {1},
+	pages = {489-494},
+	title = {Laplace transform techniques in M{\o}ller--Plesset perturbation theory},
+	url = {https://doi.org/10.1063/1.462485},
+	volume = {96},
+	year = {1992},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.462485}}
 
 @article{Hirose_2017,
-	Author = {Hirose,Daichi and Noguchi,Yoshifumi and Sugino,Osamu},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1063/1.4974320},
-	Eprint = {https://doi.org/10.1063/1.4974320},
-	Journal = {J. Chem. Phys.},
-	Number = {4},
-	Pages = {044303},
-	Title = {Quantitative characterization of exciton from GW + Bethe-Salpeter calculation},
-	Url = {https://doi.org/10.1063/1.4974320},
-	Volume = {146},
-	Year = {2017},
+	author = {Hirose,Daichi and Noguchi,Yoshifumi and Sugino,Osamu},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1063/1.4974320},
+	eprint = {https://doi.org/10.1063/1.4974320},
+	journal = {J. Chem. Phys.},
+	number = {4},
+	pages = {044303},
+	title = {Quantitative characterization of exciton from GW + Bethe-Salpeter calculation},
+	url = {https://doi.org/10.1063/1.4974320},
+	volume = {146},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4974320}}
 
 @article{Hohenberg_1964,
-	Annote = {Hohenberg-Kohn theorem},
-	Author = {P. Hohenberg and W. Kohn},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRev.136.B864},
-	Journal = {Phys. Rev.},
-	Pages = {B864--B871},
-	Title = {Inhomogeneous electron gas},
-	Volume = {136},
-	Year = {1964},
+	annote = {Hohenberg-Kohn theorem},
+	author = {P. Hohenberg and W. Kohn},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRev.136.B864},
+	journal = {Phys. Rev.},
+	pages = {B864--B871},
+	title = {Inhomogeneous electron gas},
+	volume = {136},
+	year = {1964},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRev.136.B864}}
 
 @article{Holm_1999,
-	Author = {Holm, Bengt},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevLett.83.788},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = jul,
-	Number = {4},
-	Pages = {788--791},
-	Title = {Total {{Energies}} from {{GW Calculations}}},
-	Volume = {83},
-	Year = {1999},
+	author = {Holm, Bengt},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevLett.83.788},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = jul,
+	number = {4},
+	pages = {788--791},
+	title = {Total {{Energies}} from {{GW Calculations}}},
+	volume = {83},
+	year = {1999},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.83.788}}
 
 @article{Holm_2000,
-	Author = {Holm, B. and Aryasetiawan, F.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	File = {/Users/loos/Zotero/storage/EX4CWKJL/Holm_2000.pdf},
-	Journal = {Phys. Rev. B},
-	Number = {8},
-	Pages = {4858},
-	Title = {Total Energy from the {{Galitskii}}-{{Migdal}} Formula Using Realistic Spectral Functions},
-	Volume = {62},
-	Year = {2000}}
+	author = {Holm, B. and Aryasetiawan, F.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	file = {/Users/loos/Zotero/storage/EX4CWKJL/Holm_2000.pdf},
+	journal = {Phys. Rev. B},
+	number = {8},
+	pages = {4858},
+	title = {Total Energy from the {{Galitskii}}-{{Migdal}} Formula Using Realistic Spectral Functions},
+	volume = {62},
+	year = {2000}}
 
 @article{Holzer_2018a,
-	Author = {Holzer,Christof and Klopper,Wim},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1063/1.5051028},
-	Eprint = {https://doi.org/10.1063/1.5051028},
-	Journal = {J. Chem. Phys.},
-	Number = {10},
-	Pages = {101101},
-	Title = {Communication: A hybrid Bethe--Salpeter/time-dependent density-functional-theory approach for excitation energies},
-	Url = {https://doi.org/10.1063/1.5051028},
-	Volume = {149},
-	Year = {2018},
+	author = {Holzer,Christof and Klopper,Wim},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1063/1.5051028},
+	eprint = {https://doi.org/10.1063/1.5051028},
+	journal = {J. Chem. Phys.},
+	number = {10},
+	pages = {101101},
+	title = {Communication: A hybrid Bethe--Salpeter/time-dependent density-functional-theory approach for excitation energies},
+	url = {https://doi.org/10.1063/1.5051028},
+	volume = {149},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.5051028}}
 
 @article{Holzer_2018b,
-	Author = {Holzer, Christof and Gui, Xin and Harding, Michael E. and Kresse, Georg and Helgaker, Trygve and Klopper, Wim},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1063/1.5047030},
-	Eprint = {https://doi.org/10.1063/1.5047030},
-	Journal = {J. Chem. Phys.},
-	Number = {14},
-	Pages = {144106},
-	Title = {Bethe-Salpeter correlation energies of atoms and molecules},
-	Url = {https://doi.org/10.1063/1.5047030},
-	Volume = {149},
-	Year = {2018},
+	author = {Holzer, Christof and Gui, Xin and Harding, Michael E. and Kresse, Georg and Helgaker, Trygve and Klopper, Wim},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1063/1.5047030},
+	eprint = {https://doi.org/10.1063/1.5047030},
+	journal = {J. Chem. Phys.},
+	number = {14},
+	pages = {144106},
+	title = {Bethe-Salpeter correlation energies of atoms and molecules},
+	url = {https://doi.org/10.1063/1.5047030},
+	volume = {149},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.5047030}}
 
 @article{Holzer_2019,
-	Author = {Holzer,Christof and Teale,Andrew M. and Hampe,Florian and Stopkowicz,Stella and Helgaker,Trygve and Klopper,Wim},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1063/1.5093396},
-	Eprint = {https://doi.org/10.1063/1.5093396},
-	Journal = {J. Chem. Phys.},
-	Number = {21},
-	Pages = {214112},
-	Title = {GW Quasiparticle Energies of Atoms in Strong Magnetic Fields},
-	Url = {https://doi.org/10.1063/1.5093396},
-	Volume = {150},
-	Year = {2019},
+	author = {Holzer,Christof and Teale,Andrew M. and Hampe,Florian and Stopkowicz,Stella and Helgaker,Trygve and Klopper,Wim},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1063/1.5093396},
+	eprint = {https://doi.org/10.1063/1.5093396},
+	journal = {J. Chem. Phys.},
+	number = {21},
+	pages = {214112},
+	title = {GW Quasiparticle Energies of Atoms in Strong Magnetic Fields},
+	url = {https://doi.org/10.1063/1.5093396},
+	volume = {150},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.5093396}}
 
 @article{Huix-Rotllant_2010,
-	Author = {{Huix-Rotllant}, Miquel and Natarajan, Bhaarathi and Ipatov, Andrei and Muhavini Wawire, C. and Deutsch, Thierry and Casida, Mark E.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1039/c0cp00273a},
-	Issn = {1463-9076, 1463-9084},
-	Journal = {Phys. Chem. Chem. Phys.},
-	Language = {en},
-	Number = {39},
-	Pages = {12811},
-	Title = {Assessment of Noncollinear Spin-Flip {{Tamm}}\textendash{{Dancoff}} Approximation Time-Dependent Density-Functional Theory for the Photochemical Ring-Opening of Oxirane},
-	Volume = {12},
-	Year = {2010},
+	author = {{Huix-Rotllant}, Miquel and Natarajan, Bhaarathi and Ipatov, Andrei and Muhavini Wawire, C. and Deutsch, Thierry and Casida, Mark E.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1039/c0cp00273a},
+	issn = {1463-9076, 1463-9084},
+	journal = {Phys. Chem. Chem. Phys.},
+	language = {en},
+	number = {39},
+	pages = {12811},
+	title = {Assessment of Noncollinear Spin-Flip {{Tamm}}\textendash{{Dancoff}} Approximation Time-Dependent Density-Functional Theory for the Photochemical Ring-Opening of Oxirane},
+	volume = {12},
+	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1039/c0cp00273a}}
 
 @article{Huix-Rotllant_2011,
-	Author = {{Huix-Rotllant}, Miquel and Ipatov, Andrei and Rubio, Angel and Casida, Mark E.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1016/j.chemphys.2011.03.019},
-	File = {/Users/loos/Zotero/storage/A4JUV4M4/Huix-Rotllant et al. - 2011 - Assessment of dressed time-dependent density-funct.pdf},
-	Issn = {03010104},
-	Journal = {Chem. Phys.},
-	Language = {en},
-	Month = nov,
-	Number = {1},
-	Pages = {120-129},
-	Title = {Assessment of Dressed Time-Dependent Density-Functional Theory for the Low-Lying Valence States of 28 Organic Chromophores},
-	Volume = {391},
-	Year = {2011},
+	author = {{Huix-Rotllant}, Miquel and Ipatov, Andrei and Rubio, Angel and Casida, Mark E.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1016/j.chemphys.2011.03.019},
+	file = {/Users/loos/Zotero/storage/A4JUV4M4/Huix-Rotllant et al. - 2011 - Assessment of dressed time-dependent density-funct.pdf},
+	issn = {03010104},
+	journal = {Chem. Phys.},
+	language = {en},
+	month = nov,
+	number = {1},
+	pages = {120-129},
+	title = {Assessment of Dressed Time-Dependent Density-Functional Theory for the Low-Lying Valence States of 28 Organic Chromophores},
+	volume = {391},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1016/j.chemphys.2011.03.019}}
 
 @article{Hummer_2004,
-	Author = {Hummer, Kerstin and Puschnig, Peter and Ambrosch-Draxl, Claudia},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevLett.92.147402},
-	Issue = {14},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Apr},
-	Numpages = {4},
-	Pages = {147402},
-	Publisher = {American Physical Society},
-	Title = {Lowest Optical Excitations in Molecular Crystals: Bound Excitons versus Free Electron-Hole Pairs in Anthracene},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevLett.92.147402},
-	Volume = {92},
-	Year = {2004},
+	author = {Hummer, Kerstin and Puschnig, Peter and Ambrosch-Draxl, Claudia},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevLett.92.147402},
+	issue = {14},
+	journal = {Phys. Rev. Lett.},
+	month = {Apr},
+	numpages = {4},
+	pages = {147402},
+	publisher = {American Physical Society},
+	title = {Lowest Optical Excitations in Molecular Crystals: Bound Excitons versus Free Electron-Hole Pairs in Anthracene},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.92.147402},
+	volume = {92},
+	year = {2004},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.92.147402},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.92.147402}}
 
 @article{Hummer_2005,
-	Author = {Hummer, Kerstin and Ambrosch-Draxl, Claudia},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.71.081202},
-	Issue = {8},
-	Journal = {Phys. Rev. B},
-	Month = {Feb},
-	Numpages = {4},
-	Pages = {081202},
-	Publisher = {American Physical Society},
-	Title = {Oligoacene exciton binding energies: Their dependence on molecular size},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.71.081202},
-	Volume = {71},
-	Year = {2005},
+	author = {Hummer, Kerstin and Ambrosch-Draxl, Claudia},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.71.081202},
+	issue = {8},
+	journal = {Phys. Rev. B},
+	month = {Feb},
+	numpages = {4},
+	pages = {081202},
+	publisher = {American Physical Society},
+	title = {Oligoacene exciton binding energies: Their dependence on molecular size},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.71.081202},
+	volume = {71},
+	year = {2005},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.71.081202},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.71.081202}}
 
 @article{Hung_2016,
-	Author = {Hung, Linda and {da Jornada}, Felipe H. and Souto-Casares, Jaime and Chelikowsky, James R. and Louie, Steven G. and {\"O}{\u g}{\"u}t, Serdar},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.94.085125},
-	File = {/Users/loos/Zotero/storage/YVJNGCM7/Hung_2016.pdf},
-	Issn = {2469-9950, 2469-9969},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = aug,
-	Number = {8},
-	Pages = {085125},
-	Shorttitle = {Excitation Spectra of Aromatic Molecules within a Real-Space {{G W}} -{{BSE}} Formalism},
-	Title = {Excitation Spectra of Aromatic Molecules within a Real-Space {{G W}} -{{BSE}} Formalism: {{Role}} of Self-Consistency and Vertex Corrections},
-	Volume = {94},
-	Year = {2016},
+	author = {Hung, Linda and {da Jornada}, Felipe H. and Souto-Casares, Jaime and Chelikowsky, James R. and Louie, Steven G. and {\"O}{\u g}{\"u}t, Serdar},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.94.085125},
+	file = {/Users/loos/Zotero/storage/YVJNGCM7/Hung_2016.pdf},
+	issn = {2469-9950, 2469-9969},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = aug,
+	number = {8},
+	pages = {085125},
+	shorttitle = {Excitation Spectra of Aromatic Molecules within a Real-Space {{G W}} -{{BSE}} Formalism},
+	title = {Excitation Spectra of Aromatic Molecules within a Real-Space {{G W}} -{{BSE}} Formalism: {{Role}} of Self-Consistency and Vertex Corrections},
+	volume = {94},
+	year = {2016},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.94.085125}}
 
 @article{Hung_2017,
-	Author = {Hung, Linda and Bruneval, Fabien and Baishya, Kopinjol and {\"O}{\u g}{\"u}t, Serdar},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1021/acs.jctc.7b00123},
-	File = {/Users/loos/Zotero/storage/PHJQ6KXT/Hung_2017.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = may,
-	Number = {5},
-	Pages = {2135--2146},
-	Title = {Benchmarking the {{{\emph{GW}}}} {{Approximation}} and {{Bethe}}\textendash{}{{Salpeter Equation}} for {{Groups IB}} and {{IIB Atoms}} and {{Monoxides}}},
-	Volume = {13},
-	Year = {2017},
+	author = {Hung, Linda and Bruneval, Fabien and Baishya, Kopinjol and {\"O}{\u g}{\"u}t, Serdar},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1021/acs.jctc.7b00123},
+	file = {/Users/loos/Zotero/storage/PHJQ6KXT/Hung_2017.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = may,
+	number = {5},
+	pages = {2135--2146},
+	title = {Benchmarking the {{{\emph{GW}}}} {{Approximation}} and {{Bethe}}\textendash{}{{Salpeter Equation}} for {{Groups IB}} and {{IIB Atoms}} and {{Monoxides}}},
+	volume = {13},
+	year = {2017},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jctc.7b00123}}
 
 @article{Hybertsen_1985,
-	Author = {Hybertsen, Mark S. and Louie, Steven G.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	File = {/Users/loos/Zotero/storage/3WVHH8EH/Hybertsen_1985.pdf},
-	Journal = {Phys. Rev. Lett.},
-	Number = {13},
-	Pages = {1418},
-	Shorttitle = {First-Principles Theory of Quasiparticles},
-	Title = {First-Principles Theory of Quasiparticles: Calculation of Band Gaps in Semiconductors and Insulators},
-	Volume = {55},
-	Year = {1985}}
+	author = {Hybertsen, Mark S. and Louie, Steven G.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	file = {/Users/loos/Zotero/storage/3WVHH8EH/Hybertsen_1985.pdf},
+	journal = {Phys. Rev. Lett.},
+	number = {13},
+	pages = {1418},
+	shorttitle = {First-Principles Theory of Quasiparticles},
+	title = {First-Principles Theory of Quasiparticles: Calculation of Band Gaps in Semiconductors and Insulators},
+	volume = {55},
+	year = {1985}}
 
 @article{Hybertsen_1986,
-	Author = {Hybertsen, Mark S. and Louie, Steven G.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.34.5390},
-	Issn = {0163-1829},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = oct,
-	Number = {8},
-	Pages = {5390--5413},
-	Shorttitle = {Electron Correlation in Semiconductors and Insulators},
-	Title = {Electron Correlation in Semiconductors and Insulators: {{Band}} Gaps and Quasiparticle Energies},
-	Volume = {34},
-	Year = {1986},
+	author = {Hybertsen, Mark S. and Louie, Steven G.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.34.5390},
+	issn = {0163-1829},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = oct,
+	number = {8},
+	pages = {5390--5413},
+	shorttitle = {Electron Correlation in Semiconductors and Insulators},
+	title = {Electron Correlation in Semiconductors and Insulators: {{Band}} Gaps and Quasiparticle Energies},
+	volume = {34},
+	year = {1986},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.34.5390}}
 
 @article{Jacquemin_2015a,
-	Author = {Jacquemin, Denis and Duchemin, Ivan and Blase, Xavier},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-21 08:42:32 +0200},
-	Doi = {10.1021/acs.jctc.5b00304},
-	Journal = {J. Chem. Theory Comput.},
-	Month = jul,
-	Number = {7},
-	Pages = {3290-3304},
-	Title = {Benchmarking the {{Bethe}}\textendash{}{{Salpeter Formalism}} on a {{Standard Organic Molecular Set}}},
-	Volume = {11},
-	Year = {2015},
+	author = {Jacquemin, Denis and Duchemin, Ivan and Blase, Xavier},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-21 08:42:32 +0200},
+	doi = {10.1021/acs.jctc.5b00304},
+	journal = {J. Chem. Theory Comput.},
+	month = jul,
+	number = {7},
+	pages = {3290-3304},
+	title = {Benchmarking the {{Bethe}}\textendash{}{{Salpeter Formalism}} on a {{Standard Organic Molecular Set}}},
+	volume = {11},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.5b00304}}
 
 @article{Jacquemin_2015b,
-	Author = {Jacquemin, Denis and Duchemin, Ivan and Blase, Xavier},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-21 08:42:59 +0200},
-	Doi = {10.1021/acs.jctc.5b00619},
-	Journal = {J. Chem. Theory Comput.},
-	Number = {11},
-	Pages = {5340-5359},
-	Title = {0--0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life Compounds},
-	Volume = {11},
-	Year = {2015},
+	author = {Jacquemin, Denis and Duchemin, Ivan and Blase, Xavier},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-21 08:42:59 +0200},
+	doi = {10.1021/acs.jctc.5b00619},
+	journal = {J. Chem. Theory Comput.},
+	number = {11},
+	pages = {5340-5359},
+	title = {0--0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life Compounds},
+	volume = {11},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.5b00619}}
 
 @article{Jacquemin_2017a,
-	Author = {Jacquemin, Denis and Duchemin, Ivan and Blase, Xavier},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-21 08:44:05 +0200},
-	Doi = {10.1021/acs.jpclett.7b00381},
-	Journal = {J. Phys. Chem. Lett.},
-	Number = {7},
-	Pages = {1524-1529},
-	Title = {Is the Bethe--Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD},
-	Volume = {8},
-	Year = {2017},
+	author = {Jacquemin, Denis and Duchemin, Ivan and Blase, Xavier},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-21 08:44:05 +0200},
+	doi = {10.1021/acs.jpclett.7b00381},
+	journal = {J. Phys. Chem. Lett.},
+	number = {7},
+	pages = {1524-1529},
+	title = {Is the Bethe--Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD},
+	volume = {8},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.7b00381}}
 
 @article{Jacquemin_2017b,
-	Author = {Jacquemin, Denis and Duchemin, Ivan and Blondel, Aymeric and Blase, Xavier},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-21 08:43:58 +0200},
-	Doi = {10.1021/acs.jctc.6b01169},
-	Journal = {J. Chem. Theory Comput.},
-	Number = {2},
-	Pages = {767-783},
-	Title = {Benchmark of Bethe-Salpeter for Triplet Excited-States},
-	Volume = {13},
-	Year = {2017},
+	author = {Jacquemin, Denis and Duchemin, Ivan and Blondel, Aymeric and Blase, Xavier},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-21 08:43:58 +0200},
+	doi = {10.1021/acs.jctc.6b01169},
+	journal = {J. Chem. Theory Comput.},
+	number = {2},
+	pages = {767-783},
+	title = {Benchmark of Bethe-Salpeter for Triplet Excited-States},
+	volume = {13},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.6b01169}}
 
 @article{Kaczmarski_2010,
-	Author = {Kaczmarski, Marcin S. and Ma, Yuchen and Rohlfing, Michael},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.81.115433},
-	Issue = {11},
-	Journal = {Phys. Rev. B},
-	Month = {Mar},
-	Numpages = {9},
-	Pages = {115433},
-	Publisher = {American Physical Society},
-	Title = {Diabatic states of a photoexcited retinal chromophore from ab initio many-body perturbation theory},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.81.115433},
-	Volume = {81},
-	Year = {2010},
+	author = {Kaczmarski, Marcin S. and Ma, Yuchen and Rohlfing, Michael},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.81.115433},
+	issue = {11},
+	journal = {Phys. Rev. B},
+	month = {Mar},
+	numpages = {9},
+	pages = {115433},
+	publisher = {American Physical Society},
+	title = {Diabatic states of a photoexcited retinal chromophore from ab initio many-body perturbation theory},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.81.115433},
+	volume = {81},
+	year = {2010},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.81.115433},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.81.115433}}
 
 @article{Kaltak_2014,
-	Author = {Kaltak, Merzuk and Klime\v{s}, Ji\v{i}\'{i} and Kresse, Georg},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1021/ct5001268},
-	Eprint = {https://doi.org/10.1021/ct5001268},
-	Journal = {Journal of Chemical Theory and Computation},
-	Note = {PMID: 26580770},
-	Number = {6},
-	Pages = {2498-2507},
-	Title = {Low Scaling Algorithms for the Random Phase Approximation: Imaginary Time and Laplace Transformations},
-	Url = {https://doi.org/10.1021/ct5001268},
-	Volume = {10},
-	Year = {2014},
+	author = {Kaltak, Merzuk and Klime\v{s}, Ji\v{i}\'{i} and Kresse, Georg},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1021/ct5001268},
+	eprint = {https://doi.org/10.1021/ct5001268},
+	journal = {Journal of Chemical Theory and Computation},
+	note = {PMID: 26580770},
+	number = {6},
+	pages = {2498-2507},
+	title = {Low Scaling Algorithms for the Random Phase Approximation: Imaginary Time and Laplace Transformations},
+	url = {https://doi.org/10.1021/ct5001268},
+	volume = {10},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct5001268}}
 
 @article{Korbel_2014,
-	Author = {K{\"{o}}rbel, Sabine and Boulanger, Paul and Duchemin, Ivan and Blase, Xavier and Marques, Miguel A. L. and Botti, Silvana},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-21 08:41:51 +0200},
-	Doi = {10.1021/ct5003658},
-	Journal = {J. Chem. Theory Comput.},
-	Number = {9},
-	Pages = {3934-3943},
-	Title = {Benchmark Many-Body GW and Bethe--Salpeter Calculations for Small Transition Metal Molecules},
-	Volume = {10},
-	Year = {2014},
+	author = {K{\"{o}}rbel, Sabine and Boulanger, Paul and Duchemin, Ivan and Blase, Xavier and Marques, Miguel A. L. and Botti, Silvana},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-21 08:41:51 +0200},
+	doi = {10.1021/ct5003658},
+	journal = {J. Chem. Theory Comput.},
+	number = {9},
+	pages = {3934-3943},
+	title = {Benchmark Many-Body GW and Bethe--Salpeter Calculations for Small Transition Metal Molecules},
+	volume = {10},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct5003658}}
 
 @article{Kotani_2007,
-	Author = {Kotani, Takao and {van Schilfgaarde}, Mark and Faleev, Sergey V.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.76.165106},
-	File = {/Users/loos/Zotero/storage/FIMWDS7X/Kotani_2007.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = oct,
-	Number = {16},
-	Pages = {165106},
-	Shorttitle = {Quasiparticle Self-Consistent {{G W}} Method},
-	Title = {Quasiparticle Self-Consistent {{G W}} Method: {{A}} Basis for the Independent-Particle Approximation},
-	Volume = {76},
-	Year = {2007},
+	author = {Kotani, Takao and {van Schilfgaarde}, Mark and Faleev, Sergey V.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.76.165106},
+	file = {/Users/loos/Zotero/storage/FIMWDS7X/Kotani_2007.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = oct,
+	number = {16},
+	pages = {165106},
+	shorttitle = {Quasiparticle Self-Consistent {{G W}} Method},
+	title = {Quasiparticle Self-Consistent {{G W}} Method: {{A}} Basis for the Independent-Particle Approximation},
+	volume = {76},
+	year = {2007},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.76.165106}}
 
 @article{Kraisler_2013,
-	Author = {Kraisler, Eli and Kronik, Leeor},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevLett.110.126403},
-	File = {/Users/loos/Zotero/storage/ELUWJQ66/Kraisler and Kronik - 2013 - Piecewise Linearity of Approximate Density Functio.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = mar,
-	Number = {12},
-	Pages = {126403},
-	Shorttitle = {Piecewise {{Linearity}} of {{Approximate Density Functionals Revisited}}},
-	Title = {Piecewise {{Linearity}} of {{Approximate Density Functionals Revisited}}: {{Implications}} for {{Frontier Orbital Energies}}},
-	Volume = {110},
-	Year = {2013},
+	author = {Kraisler, Eli and Kronik, Leeor},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevLett.110.126403},
+	file = {/Users/loos/Zotero/storage/ELUWJQ66/Kraisler and Kronik - 2013 - Piecewise Linearity of Approximate Density Functio.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = mar,
+	number = {12},
+	pages = {126403},
+	shorttitle = {Piecewise {{Linearity}} of {{Approximate Density Functionals Revisited}}},
+	title = {Piecewise {{Linearity}} of {{Approximate Density Functionals Revisited}}: {{Implications}} for {{Frontier Orbital Energies}}},
+	volume = {110},
+	year = {2013},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.110.126403}}
 
 @article{Krause_2017,
-	Abstract = {A software update solving the Bethe−Salpeter equation ...},
-	Author = {Krause, Katharina and Klopper, Wim},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-21 08:44:35 +0200},
-	Doi = {10.1002/jcc.24688},
-	Journal = {J. Comput. Chem.},
-	Number = {6},
-	Pages = {383-388},
-	Title = {Implementation of the Bethe-Salpeter equation in the TURBOMOLE program},
-	Volume = {38},
-	Year = {2017},
+	abstract = {A software update solving the Bethe−Salpeter equation ...},
+	author = {Krause, Katharina and Klopper, Wim},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-21 08:44:35 +0200},
+	doi = {10.1002/jcc.24688},
+	journal = {J. Comput. Chem.},
+	number = {6},
+	pages = {383-388},
+	title = {Implementation of the Bethe-Salpeter equation in the TURBOMOLE program},
+	volume = {38},
+	year = {2017},
 	Bdsk-Url-1 = {https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.24688},
 	Bdsk-Url-2 = {https://doi.org/10.1002/jcc.24688}}
 
 @article{Kronik_2012,
-	Author = {Leeor Kronik and Tamar Stein and Sivan {Refaely-Abramson} and Roi Baer},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1021/ct2009363},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {1515--1531},
-	Title = {Excitation Gaps of Finite-Sized Systems from Optimally Tuned Range-Separated Hybrid Functionals},
-	Volume = {8},
-	Year = {2012},
+	author = {Leeor Kronik and Tamar Stein and Sivan {Refaely-Abramson} and Roi Baer},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1021/ct2009363},
+	journal = {J. Chem. Theory Comput.},
+	pages = {1515--1531},
+	title = {Excitation Gaps of Finite-Sized Systems from Optimally Tuned Range-Separated Hybrid Functionals},
+	volume = {8},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct2009363}}
 
 @article{Kutepov_2016,
-	Author = {Kutepov, Andrey L.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.94.155101},
-	File = {/Users/loos/Zotero/storage/G69H55JQ/Kutepov_2016.pdf},
-	Issn = {2469-9950, 2469-9969},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = oct,
-	Number = {15},
-	Pages = {155101},
-	Title = {Electronic Structure of {{Na}}, {{K}}, {{Si}}, and {{LiF}} from Self-Consistent Solution of {{Hedin}}'s Equations Including Vertex Corrections},
-	Volume = {94},
-	Year = {2016},
+	author = {Kutepov, Andrey L.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.94.155101},
+	file = {/Users/loos/Zotero/storage/G69H55JQ/Kutepov_2016.pdf},
+	issn = {2469-9950, 2469-9969},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = oct,
+	number = {15},
+	pages = {155101},
+	title = {Electronic Structure of {{Na}}, {{K}}, {{Si}}, and {{LiF}} from Self-Consistent Solution of {{Hedin}}'s Equations Including Vertex Corrections},
+	volume = {94},
+	year = {2016},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.94.155101}}
 
 @article{Kutepov_2017,
-	Author = {Kutepov, A. L. and Kotliar, G.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.96.035108},
-	File = {/Users/loos/Zotero/storage/LHWCGLTR/Kutepov_2017.pdf},
-	Issn = {2469-9950, 2469-9969},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = jul,
-	Number = {3},
-	Pages = {035108},
-	Title = {One-Electron Spectra and Susceptibilities of the Three-Dimensional Electron Gas from Self-Consistent Solutions of {{Hedin}}'s Equations},
-	Volume = {96},
-	Year = {2017},
+	author = {Kutepov, A. L. and Kotliar, G.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.96.035108},
+	file = {/Users/loos/Zotero/storage/LHWCGLTR/Kutepov_2017.pdf},
+	issn = {2469-9950, 2469-9969},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = jul,
+	number = {3},
+	pages = {035108},
+	title = {One-Electron Spectra and Susceptibilities of the Three-Dimensional Electron Gas from Self-Consistent Solutions of {{Hedin}}'s Equations},
+	volume = {96},
+	year = {2017},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.96.035108}}
 
 @article{Lazzeri_2008,
-	Author = {Lazzeri, Michele and Attaccalite, Claudio and Wirtz, Ludger and Mauri, Francesco},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.78.081406},
-	Issue = {8},
-	Journal = {Phys. Rev. B},
-	Month = {Aug},
-	Numpages = {4},
-	Pages = {081406},
-	Publisher = {American Physical Society},
-	Title = {Impact of the Electron-Electron Correlation on Phonon Dispersion: Failure of LDA and GGA DFT Functionals in Graphene and Graphite},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.78.081406},
-	Volume = {78},
-	Year = {2008},
+	author = {Lazzeri, Michele and Attaccalite, Claudio and Wirtz, Ludger and Mauri, Francesco},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.78.081406},
+	issue = {8},
+	journal = {Phys. Rev. B},
+	month = {Aug},
+	numpages = {4},
+	pages = {081406},
+	publisher = {American Physical Society},
+	title = {Impact of the Electron-Electron Correlation on Phonon Dispersion: Failure of LDA and GGA DFT Functionals in Graphene and Graphite},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.78.081406},
+	volume = {78},
+	year = {2008},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.78.081406},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.78.081406}}
 
 @article{Lettmann_2019,
-	Author = {Tobias Lettmann and Michael Rohlfing},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1021/acs.jctc.9b00223},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {4547--4554},
-	Title = {Electronic Excitations of Polythiophene within Many-Body Perturbation Theory with and without the Tamm-Dancoff Approximation},
-	Volume = {15},
-	Year = {2019},
+	author = {Tobias Lettmann and Michael Rohlfing},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1021/acs.jctc.9b00223},
+	journal = {J. Chem. Theory Comput.},
+	pages = {4547--4554},
+	title = {Electronic Excitations of Polythiophene within Many-Body Perturbation Theory with and without the Tamm-Dancoff Approximation},
+	volume = {15},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b00223}}
 
 @article{Li_2019,
-	Author = {J. Li and N. D. Drummond and P. Schuck and V. Olevano},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.21468/SciPostPhys.6.4.040},
-	Journal = {SciPost Phys.},
-	Pages = {040},
-	Title = {Comparing Many-Body Approaches Against the Helium Atom Exact Solution},
-	Volume = {6},
-	Year = {2019},
+	author = {J. Li and N. D. Drummond and P. Schuck and V. Olevano},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.21468/SciPostPhys.6.4.040},
+	journal = {SciPost Phys.},
+	pages = {040},
+	title = {Comparing Many-Body Approaches Against the Helium Atom Exact Solution},
+	volume = {6},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.21468/SciPostPhys.6.4.040}}
 
 @article{Linden_1988,
-	Author = {von der Linden, Wolfgang and Horsch, Peter},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.37.8351},
-	Issue = {14},
-	Journal = {Phys. Rev. B},
-	Month = {May},
-	Numpages = {0},
-	Pages = {8351--8362},
-	Publisher = {American Physical Society},
-	Title = {Precise Quasiparticle Energies and Hartree-Fock Bands of Semiconductors and Insulators},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.37.8351},
-	Volume = {37},
-	Year = {1988},
+	author = {von der Linden, Wolfgang and Horsch, Peter},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.37.8351},
+	issue = {14},
+	journal = {Phys. Rev. B},
+	month = {May},
+	numpages = {0},
+	pages = {8351--8362},
+	publisher = {American Physical Society},
+	title = {Precise Quasiparticle Energies and Hartree-Fock Bands of Semiconductors and Insulators},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.37.8351},
+	volume = {37},
+	year = {1988},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.37.8351},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.37.8351}}
 
 @article{Ljungberg_2015,
-	Author = {Ljungberg, M. P. and Koval, P. and Ferrari, F. and Foerster, D. and S\'anchez-Portal, D.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.92.075422},
-	Issue = {7},
-	Journal = {Phys. Rev. B},
-	Month = {Aug},
-	Numpages = {18},
-	Pages = {075422},
-	Publisher = {American Physical Society},
-	Title = {Cubic-scaling iterative solution of the Bethe-Salpeter equation for finite systems},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.92.075422},
-	Volume = {92},
-	Year = {2015},
+	author = {Ljungberg, M. P. and Koval, P. and Ferrari, F. and Foerster, D. and S\'anchez-Portal, D.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.92.075422},
+	issue = {7},
+	journal = {Phys. Rev. B},
+	month = {Aug},
+	numpages = {18},
+	pages = {075422},
+	publisher = {American Physical Society},
+	title = {Cubic-scaling iterative solution of the Bethe-Salpeter equation for finite systems},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.92.075422},
+	volume = {92},
+	year = {2015},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.92.075422},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.92.075422}}
 
 @article{Loos_2018b,
-	Author = {P. F. Loos and P. Romaniello and J. A. Berger},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-19 16:23:52 +0200},
-	Doi = {10.1021/acs.jctc.8b00260},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {3071--3082},
-	Title = {Green Functions and Self-Consistency: Insights From the Spherium Model},
-	Volume = {14},
-	Year = {2018},
+	author = {P. F. Loos and P. Romaniello and J. A. Berger},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-19 16:23:52 +0200},
+	doi = {10.1021/acs.jctc.8b00260},
+	journal = {J. Chem. Theory Comput.},
+	pages = {3071--3082},
+	title = {Green Functions and Self-Consistency: Insights From the Spherium Model},
+	volume = {14},
+	year = {2018},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jctc.8b00260}}
 
 @article{Loos_2020,
-	Author = {Pierre-Fran{\c c}ois Loos and Anthony Scemama and Ivan Duchemin and Denis Jacquemin and Xavier Blase},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 22:14:08 +0200},
-	Title = {Pros and Cons of the Bethe-Salpeter Formalism for Ground-State Energies},
-	Year = {2020}}
+	author = {Pierre-Fran{\c c}ois Loos and Anthony Scemama and Ivan Duchemin and Denis Jacquemin and Xavier Blase},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 22:14:08 +0200},
+	title = {Pros and Cons of the Bethe-Salpeter Formalism for Ground-State Energies},
+	year = {2020}}
 
 @article{Loos_2020a,
-	Author = {P. F. Loos and A. Scemama and D. Jacquemin},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-06-15 10:37:33 +0200},
-	Doi = {10.1021/acs.jpclett.0c00014},
-	Journal = {J. Phys. Chem. Lett.},
-	Pages = {2374--2383},
-	Title = {The Quest for Highly-Accurate Excitation Energies: a Computational Perspective},
-	Volume = {11},
-	Year = {2020},
+	author = {P. F. Loos and A. Scemama and D. Jacquemin},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-06-15 10:37:33 +0200},
+	doi = {10.1021/acs.jpclett.0c00014},
+	journal = {J. Phys. Chem. Lett.},
+	pages = {2374--2383},
+	title = {The Quest for Highly-Accurate Excitation Energies: a Computational Perspective},
+	volume = {11},
+	year = {2020},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.0c00014}}
 
 @article{Lu_2017,
-	Abstract = {We present a new cubic scaling algorithm for the calculation of the RPA correlation energy. Our scheme splits up the dependence between the occupied and virtual orbitals in χ0 by use of Cauchy's integral formula. This introduces an additional integral to be carried out, for which we provide a geometrically convergent quadrature rule. Our scheme also uses the newly developed Interpolative Separable Density Fitting algorithm to further reduce the computational cost in a way analogous to that of the Resolution of Identity method.},
-	Author = {Jianfeng Lu and Kyle Thicke},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {https://doi.org/10.1016/j.jcp.2017.09.012},
-	Issn = {0021-9991},
-	Journal = {J. Comput. Phys.},
-	Keywords = {Electronic structure theory, Density fitting, Random phase approximation, Fast algorithms, Contour integral},
-	Pages = {187 - 202},
-	Title = {Cubic Scaling Algorithms for RPA Correlation Using Interpolative Separable Density Fitting},
-	Url = {http://www.sciencedirect.com/science/article/pii/S002199911730671X},
-	Volume = {351},
-	Year = {2017},
+	abstract = {We present a new cubic scaling algorithm for the calculation of the RPA correlation energy. Our scheme splits up the dependence between the occupied and virtual orbitals in χ0 by use of Cauchy's integral formula. This introduces an additional integral to be carried out, for which we provide a geometrically convergent quadrature rule. Our scheme also uses the newly developed Interpolative Separable Density Fitting algorithm to further reduce the computational cost in a way analogous to that of the Resolution of Identity method.},
+	author = {Jianfeng Lu and Kyle Thicke},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {https://doi.org/10.1016/j.jcp.2017.09.012},
+	issn = {0021-9991},
+	journal = {J. Comput. Phys.},
+	keywords = {Electronic structure theory, Density fitting, Random phase approximation, Fast algorithms, Contour integral},
+	pages = {187 - 202},
+	title = {Cubic Scaling Algorithms for RPA Correlation Using Interpolative Separable Density Fitting},
+	url = {http://www.sciencedirect.com/science/article/pii/S002199911730671X},
+	volume = {351},
+	year = {2017},
 	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S002199911730671X},
 	Bdsk-Url-2 = {https://doi.org/10.1016/j.jcp.2017.09.012}}
 
 @article{Ma_2009b,
-	Author = {Ma, Yuchen and Rohlfing, Michael and Molteni, Carla},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-20 22:00:24 +0200},
-	Doi = {10.1021/ct900528h},
-	Journal = {J. Chem. Theory. Comput.},
-	Pages = {257--265},
-	Title = {Modeling the Excited States of Biological Chromophores within Many-Body Green's Function Theory},
-	Volume = {6},
-	Year = {2009},
+	author = {Ma, Yuchen and Rohlfing, Michael and Molteni, Carla},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-20 22:00:24 +0200},
+	doi = {10.1021/ct900528h},
+	journal = {J. Chem. Theory. Comput.},
+	pages = {257--265},
+	title = {Modeling the Excited States of Biological Chromophores within Many-Body Green's Function Theory},
+	volume = {6},
+	year = {2009},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.80.241405},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.80.241405}}
 
 @article{Martin_1959,
-	Author = {Martin, Paul C. and Schwinger, Julian},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRev.115.1342},
-	Issn = {0031-899X},
-	Journal = {Phys. Rev.},
-	Language = {en},
-	Month = sep,
-	Number = {6},
-	Pages = {1342--1373},
-	Title = {Theory of {{Many}}-{{Particle Systems}}. {{I}}},
-	Volume = {115},
-	Year = {1959},
+	author = {Martin, Paul C. and Schwinger, Julian},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRev.115.1342},
+	issn = {0031-899X},
+	journal = {Phys. Rev.},
+	language = {en},
+	month = sep,
+	number = {6},
+	pages = {1342--1373},
+	title = {Theory of {{Many}}-{{Particle Systems}}. {{I}}},
+	volume = {115},
+	year = {1959},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRev.115.1342}}
 
 @misc{Nobel_2003,
-	Author = {{{The Royal Swedish Academy of Sciences}}},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Howpublished = {Press release},
-	Month = {Oct},
-	Title = {The Nobel Prize in Chemistry 2013},
-	Year = {2013}}
+	author = {{{The Royal Swedish Academy of Sciences}}},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	howpublished = {Press release},
+	month = {Oct},
+	title = {The Nobel Prize in Chemistry 2013},
+	year = {2013}}
 
 @article{Northrup_1991,
-	Author = {Northrup, John E. and Hybertsen, Mark S. and Louie, Steven G.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevLett.66.500},
-	Issue = {4},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Jan},
-	Numpages = {0},
-	Pages = {500--503},
-	Publisher = {American Physical Society},
-	Title = {Many-body Calculation of the Surface-State Energies for Si(111)2\ifmmode\times\else\texttimes\fi{}1},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevLett.66.500},
-	Volume = {66},
-	Year = {1991},
+	author = {Northrup, John E. and Hybertsen, Mark S. and Louie, Steven G.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevLett.66.500},
+	issue = {4},
+	journal = {Phys. Rev. Lett.},
+	month = {Jan},
+	numpages = {0},
+	pages = {500--503},
+	publisher = {American Physical Society},
+	title = {Many-body Calculation of the Surface-State Energies for Si(111)2\ifmmode\times\else\texttimes\fi{}1},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.66.500},
+	volume = {66},
+	year = {1991},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.66.500},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.66.500}}
 
 @article{Olevano_2019,
-	Author = {Olevano,Valerio and Toulouse,Julien and Schuck,Peter},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-21 08:41:29 +0200},
-	Doi = {10.1063/1.5080330},
-	Journal = {J. Chem. Phys.},
-	Number = {8},
-	Pages = {084112},
-	Title = {A formally exact one-frequency-only Bethe-Salpeter-like equation. Similarities and differences between GW+BSE and self-consistent RPA},
-	Volume = {150},
-	Year = {2019},
+	author = {Olevano,Valerio and Toulouse,Julien and Schuck,Peter},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-21 08:41:29 +0200},
+	doi = {10.1063/1.5080330},
+	journal = {J. Chem. Phys.},
+	number = {8},
+	pages = {084112},
+	title = {A formally exact one-frequency-only Bethe-Salpeter-like equation. Similarities and differences between GW+BSE and self-consistent RPA},
+	volume = {150},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.5080330}}
 
 @article{Olovsson_2009,
-	Abstract = {We obtain x-ray absorption near-edge structures (XANES) by solving the equation of motion for the two-particle Green's function ... },
-	Author = {W Olovsson and I Tanaka and P Puschnig and C Ambrosch-Draxl},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1088/0953-8984/21/10/104205},
-	Journal = {Journal of Physics: Condensed Matter},
-	Month = {feb},
-	Number = {10},
-	Pages = {104205},
-	Publisher = {{IOP} Publishing},
-	Title = {Near-edge structures from first principles all-electron Bethe{\textendash}Salpeter equation calculations},
-	Url = {https://doi.org/10.1088%2F0953-8984%2F21%2F10%2F104205},
-	Volume = {21},
-	Year = 2009,
+	abstract = {We obtain x-ray absorption near-edge structures (XANES) by solving the equation of motion for the two-particle Green's function ... },
+	author = {W Olovsson and I Tanaka and P Puschnig and C Ambrosch-Draxl},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1088/0953-8984/21/10/104205},
+	journal = {Journal of Physics: Condensed Matter},
+	month = {feb},
+	number = {10},
+	pages = {104205},
+	publisher = {{IOP} Publishing},
+	title = {Near-edge structures from first principles all-electron Bethe{\textendash}Salpeter equation calculations},
+	url = {https://doi.org/10.1088%2F0953-8984%2F21%2F10%2F104205},
+	volume = {21},
+	year = 2009,
 	Bdsk-Url-1 = {https://doi.org/10.1088%2F0953-8984%2F21%2F10%2F104205},
 	Bdsk-Url-2 = {https://doi.org/10.1088/0953-8984/21/10/104205}}
 
 @article{Onida_1995,
-	Author = {Onida, Giovanni and Reining, Lucia and Godby, R. W. and Del Sole, R. and Andreoni, Wanda},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevLett.75.818},
-	Issue = {5},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Jul},
-	Numpages = {0},
-	Pages = {818--821},
-	Publisher = {American Physical Society},
-	Title = {Ab Initio Calculations of the Quasiparticle and Absorption Spectra of Clusters: The Sodium Tetramer},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevLett.75.818},
-	Volume = {75},
-	Year = {1995},
+	author = {Onida, Giovanni and Reining, Lucia and Godby, R. W. and Del Sole, R. and Andreoni, Wanda},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevLett.75.818},
+	issue = {5},
+	journal = {Phys. Rev. Lett.},
+	month = {Jul},
+	numpages = {0},
+	pages = {818--821},
+	publisher = {American Physical Society},
+	title = {Ab Initio Calculations of the Quasiparticle and Absorption Spectra of Clusters: The Sodium Tetramer},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.75.818},
+	volume = {75},
+	year = {1995},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.75.818},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.75.818}}
 
 @article{Perdew_1983,
-	Author = {Perdew, John P. and Levy, Mel},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevLett.51.1884},
-	Issue = {20},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Nov},
-	Numpages = {0},
-	Pages = {1884--1887},
-	Publisher = {American Physical Society},
-	Title = {Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevLett.51.1884},
-	Volume = {51},
-	Year = {1983},
+	author = {Perdew, John P. and Levy, Mel},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevLett.51.1884},
+	issue = {20},
+	journal = {Phys. Rev. Lett.},
+	month = {Nov},
+	numpages = {0},
+	pages = {1884--1887},
+	publisher = {American Physical Society},
+	title = {Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.51.1884},
+	volume = {51},
+	year = {1983},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.51.1884},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.51.1884}}
 
 @article{Ping_2013,
-	Abstract = {We describe state of the art methods for the calculation of electronic excitations in solids and molecules{,} based on many body perturbation theory{,} and we discuss some applications of these methods to the study of band edges and absorption processes in representative materials used as photoelectrodes for water splitting.},
-	Author = {Ping, Yuan and Rocca, Dario and Galli, Giulia},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1039/C3CS00007A},
-	Issue = {6},
-	Journal = {Chem. Soc. Rev.},
-	Pages = {2437-2469},
-	Publisher = {The Royal Society of Chemistry},
-	Title = {Electronic excitations in light absorbers for photoelectrochemical energy conversion: first principles calculations based on many body perturbation theory},
-	Url = {http://dx.doi.org/10.1039/C3CS00007A},
-	Volume = {42},
-	Year = {2013},
+	abstract = {We describe state of the art methods for the calculation of electronic excitations in solids and molecules{,} based on many body perturbation theory{,} and we discuss some applications of these methods to the study of band edges and absorption processes in representative materials used as photoelectrodes for water splitting.},
+	author = {Ping, Yuan and Rocca, Dario and Galli, Giulia},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1039/C3CS00007A},
+	issue = {6},
+	journal = {Chem. Soc. Rev.},
+	pages = {2437-2469},
+	publisher = {The Royal Society of Chemistry},
+	title = {Electronic excitations in light absorbers for photoelectrochemical energy conversion: first principles calculations based on many body perturbation theory},
+	url = {http://dx.doi.org/10.1039/C3CS00007A},
+	volume = {42},
+	year = {2013},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1039/C3CS00007A}}
 
 @article{Garniron_2019,
-	Author = {Y. Garniron and K. Gasperich and T. Applencourt and A. Benali and A. Fert{\'e} and J. Paquier and B. Pradines and R. Assaraf and P. Reinhardt and J. Toulouse and P. Barbaresco and N. Renon and G. David and J. P. Malrieu and M. V{\'e}ril and M. Caffarel and P. F. Loos and E. Giner and A. Scemama},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-09-03 21:54:11 +0200},
-	Doi = {10.1021/acs.jctc.9b00176},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {3591},
-	Title = {Quantum Package 2.0: A Open-Source Determinant-Driven Suite Of Programs},
-	Volume = {15},
-	Year = {2019},
+	author = {Y. Garniron and K. Gasperich and T. Applencourt and A. Benali and A. Fert{\'e} and J. Paquier and B. Pradines and R. Assaraf and P. Reinhardt and J. Toulouse and P. Barbaresco and N. Renon and G. David and J. P. Malrieu and M. V{\'e}ril and M. Caffarel and P. F. Loos and E. Giner and A. Scemama},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-09-03 21:54:11 +0200},
+	doi = {10.1021/acs.jctc.9b00176},
+	journal = {J. Chem. Theory Comput.},
+	pages = {3591},
+	title = {Quantum Package 2.0: A Open-Source Determinant-Driven Suite Of Programs},
+	volume = {15},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b00176}}
 
 @article{Rabani_2015,
-	Author = {Rabani, Eran and Baer, Roi and Neuhauser, Daniel},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.91.235302},
-	Issue = {23},
-	Journal = {Phys. Rev. B},
-	Month = {Jun},
-	Numpages = {10},
-	Pages = {235302},
-	Publisher = {American Physical Society},
-	Title = {Time-Dependent Stochastic Bethe-Salpeter Approach},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.91.235302},
-	Volume = {91},
-	Year = {2015},
+	author = {Rabani, Eran and Baer, Roi and Neuhauser, Daniel},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.91.235302},
+	issue = {23},
+	journal = {Phys. Rev. B},
+	month = {Jun},
+	numpages = {10},
+	pages = {235302},
+	publisher = {American Physical Society},
+	title = {Time-Dependent Stochastic Bethe-Salpeter Approach},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.91.235302},
+	volume = {91},
+	year = {2015},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.91.235302},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.91.235302}}
 
 @article{Rebolini_2016,
-	Author = {Rebolini,Elisa and Toulouse,Julien},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-21 08:41:16 +0200},
-	Doi = {10.1063/1.4943003},
-	Journal = {J. Chem. Phys.},
-	Number = {9},
-	Pages = {094107},
-	Title = {Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel},
-	Volume = {144},
-	Year = {2016},
+	author = {Rebolini,Elisa and Toulouse,Julien},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-21 08:41:16 +0200},
+	doi = {10.1063/1.4943003},
+	journal = {J. Chem. Phys.},
+	number = {9},
+	pages = {094107},
+	title = {Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel},
+	volume = {144},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4943003}}
 
 @article{Refaely-Abramson_2012,
-	Author = {Sivan Refaely-Abramson and Sahar Sharifzadeh and Niranjan Govind and Jochen Autschbach and Jeffrey B. Neaton and Roi Baer and Leeor Kronik},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevLett.109.226405},
-	Journal = {Phys. Rev. X},
-	Pages = {226405},
-	Title = {Quasiparticle Spectra from a Nonempirical Optimally Tuned Range-Separated Hybrid Density Functional},
-	Volume = {109},
-	Year = {2012},
+	author = {Sivan Refaely-Abramson and Sahar Sharifzadeh and Niranjan Govind and Jochen Autschbach and Jeffrey B. Neaton and Roi Baer and Leeor Kronik},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevLett.109.226405},
+	journal = {Phys. Rev. X},
+	pages = {226405},
+	title = {Quasiparticle Spectra from a Nonempirical Optimally Tuned Range-Separated Hybrid Density Functional},
+	volume = {109},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.109.226405}}
 
 @article{Reining_2017,
-	Author = {Reining, Lucia},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1002/wcms.1344},
-	File = {/Users/loos/Zotero/storage/VDXYCLGF/Reining_2017.pdf},
-	Issn = {17590876},
-	Journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
-	Language = {en},
-	Month = dec,
-	Pages = {e1344},
-	Shorttitle = {The {{GW}} Approximation},
-	Title = {The {{GW}} Approximation: Content, Successes and Limitations: {{The GW}} Approximation},
-	Year = {2017},
+	author = {Reining, Lucia},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1002/wcms.1344},
+	file = {/Users/loos/Zotero/storage/VDXYCLGF/Reining_2017.pdf},
+	issn = {17590876},
+	journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
+	language = {en},
+	month = dec,
+	pages = {e1344},
+	shorttitle = {The {{GW}} Approximation},
+	title = {The {{GW}} Approximation: Content, Successes and Limitations: {{The GW}} Approximation},
+	year = {2017},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1002/wcms.1344}}
 
 @book{ReiningBook,
-	Author = {Martin, R.M. and Reining, L. and Ceperley, D.M.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Isbn = {0521871506},
-	Publisher = {Cambridge University Press},
-	Title = {Interacting Electrons: Theory and Computational Approaches},
-	Year = {2016}}
+	author = {Martin, R.M. and Reining, L. and Ceperley, D.M.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	isbn = {0521871506},
+	publisher = {Cambridge University Press},
+	title = {Interacting Electrons: Theory and Computational Approaches},
+	year = {2016}}
 
 @inbook{Robb_2007,
-	Address = {Hoboken, NJ, USA},
-	Author = {Robb, Michael A. and Garavelli, Marco and Olivucci, Massimo and Bernardi, Fernando},
-	Booktitle = {Reviews in {{Computational Chemistry}}},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1002/9780470125922.ch2},
-	Editor = {Lipkowitz, Kenny B. and Boyd, Donald B.},
-	Isbn = {978-0-470-12592-2 978-0-471-36168-8},
-	Pages = {87-146},
-	Publisher = {{John Wiley \& Sons, Inc.}},
-	Title = {A {{Computational Strategy}} for {{Organic Photochemistry}}},
-	Year = {2007},
+	address = {Hoboken, NJ, USA},
+	author = {Robb, Michael A. and Garavelli, Marco and Olivucci, Massimo and Bernardi, Fernando},
+	booktitle = {Reviews in {{Computational Chemistry}}},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1002/9780470125922.ch2},
+	editor = {Lipkowitz, Kenny B. and Boyd, Donald B.},
+	isbn = {978-0-470-12592-2 978-0-471-36168-8},
+	pages = {87-146},
+	publisher = {{John Wiley \& Sons, Inc.}},
+	title = {A {{Computational Strategy}} for {{Organic Photochemistry}}},
+	year = {2007},
 	Bdsk-Url-1 = {https://doi.org/10.1002/9780470125922.ch2}}
 
 @article{Rohlfing_1995,
-	Author = {Rohlfing, Michael and Kr{\"u}ger, Peter and Pollmann, Johannes},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.52.1905},
-	Issue = {3},
-	Journal = {Phys. Rev. B},
-	Month = {Jul},
-	Numpages = {0},
-	Pages = {1905--1917},
-	Publisher = {American Physical Society},
-	Title = {Efficient Scheme for GW Quasiparticle Band-Structure Calculations with Aapplications to Bulk Si and to the Si(001)-(2\ifmmode\times\else\texttimes\fi{}1) Surface},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.52.1905},
-	Volume = {52},
-	Year = {1995},
+	author = {Rohlfing, Michael and Kr{\"u}ger, Peter and Pollmann, Johannes},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.52.1905},
+	issue = {3},
+	journal = {Phys. Rev. B},
+	month = {Jul},
+	numpages = {0},
+	pages = {1905--1917},
+	publisher = {American Physical Society},
+	title = {Efficient Scheme for GW Quasiparticle Band-Structure Calculations with Aapplications to Bulk Si and to the Si(001)-(2\ifmmode\times\else\texttimes\fi{}1) Surface},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.52.1905},
+	volume = {52},
+	year = {1995},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.52.1905},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.52.1905}}
 
 @article{Rohlfing_1999,
-	Author = {Rohlfing, Michael and Louie, Steven G.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevLett.83.856},
-	Issue = {4},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Jul},
-	Numpages = {0},
-	Pages = {856--859},
-	Publisher = {American Physical Society},
-	Title = {Excitons and Optical Spectrum of the $\mathrm{Si}(111)\ensuremath{-}(2\ifmmode\times\else\texttimes\fi{}1)$ Surface},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevLett.83.856},
-	Volume = {83},
-	Year = {1999},
+	author = {Rohlfing, Michael and Louie, Steven G.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevLett.83.856},
+	issue = {4},
+	journal = {Phys. Rev. Lett.},
+	month = {Jul},
+	numpages = {0},
+	pages = {856--859},
+	publisher = {American Physical Society},
+	title = {Excitons and Optical Spectrum of the $\mathrm{Si}(111)\ensuremath{-}(2\ifmmode\times\else\texttimes\fi{}1)$ Surface},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.83.856},
+	volume = {83},
+	year = {1999},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.83.856},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.83.856}}
 
 @article{Rohlfing_2000,
-	Author = {Rohlfing, Michael and Louie, Steven G.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.62.4927},
-	Issue = {8},
-	Journal = {Phys. Rev. B},
-	Month = {Aug},
-	Numpages = {0},
-	Pages = {4927--4944},
-	Publisher = {American Physical Society},
-	Title = {Electron-hole excitations and optical spectra from first principles},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.62.4927},
-	Volume = {62},
-	Year = {2000},
+	author = {Rohlfing, Michael and Louie, Steven G.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.62.4927},
+	issue = {8},
+	journal = {Phys. Rev. B},
+	month = {Aug},
+	numpages = {0},
+	pages = {4927--4944},
+	publisher = {American Physical Society},
+	title = {Electron-hole excitations and optical spectra from first principles},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.62.4927},
+	volume = {62},
+	year = {2000},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.62.4927},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.62.4927}}
 
 @article{Romaniello_2009a,
-	Author = {Romaniello, P. and Guyot, S. and Reining, L.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1063/1.3249965},
-	File = {/Users/loos/Zotero/storage/WCWVRT3M/Romaniello_2009.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = oct,
-	Number = {15},
-	Pages = {154111},
-	Shorttitle = {The Self-Energy beyond {{GW}}},
-	Title = {The Self-Energy beyond {{GW}}: {{Local}} and Nonlocal Vertex Corrections},
-	Volume = {131},
-	Year = {2009},
+	author = {Romaniello, P. and Guyot, S. and Reining, L.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1063/1.3249965},
+	file = {/Users/loos/Zotero/storage/WCWVRT3M/Romaniello_2009.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = oct,
+	number = {15},
+	pages = {154111},
+	shorttitle = {The Self-Energy beyond {{GW}}},
+	title = {The Self-Energy beyond {{GW}}: {{Local}} and Nonlocal Vertex Corrections},
+	volume = {131},
+	year = {2009},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.3249965}}
 
 @article{Romaniello_2009b,
-	Author = {Romaniello,P. and Sangalli,D. and Berger,J. A. and Sottile,F. and Molinari,L. G. and Reining,L. and Onida,G.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-21 08:45:19 +0200},
-	Doi = {10.1063/1.3065669},
-	Journal = {J. Chem. Phys.},
-	Number = {4},
-	Pages = {044108},
-	Title = {Double excitations in finite systems},
-	Volume = {130},
-	Year = {2009},
+	author = {Romaniello,P. and Sangalli,D. and Berger,J. A. and Sottile,F. and Molinari,L. G. and Reining,L. and Onida,G.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-21 08:45:19 +0200},
+	doi = {10.1063/1.3065669},
+	journal = {J. Chem. Phys.},
+	number = {4},
+	pages = {044108},
+	title = {Double excitations in finite systems},
+	volume = {130},
+	year = {2009},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3065669}}
 
 @article{Romaniello_2012,
-	Author = {Romaniello, Pina and Bechstedt, Friedhelm and Reining, Lucia},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.85.155131},
-	File = {/Users/loos/Zotero/storage/PLHVA772/Romaniello_2012.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = apr,
-	Number = {15},
-	Pages = {155131},
-	Shorttitle = {Beyond the {{G W}} Approximation},
-	Title = {Beyond the {{G W}} Approximation: {{Combining}} Correlation Channels},
-	Volume = {85},
-	Year = {2012},
+	author = {Romaniello, Pina and Bechstedt, Friedhelm and Reining, Lucia},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.85.155131},
+	file = {/Users/loos/Zotero/storage/PLHVA772/Romaniello_2012.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = apr,
+	number = {15},
+	pages = {155131},
+	shorttitle = {Beyond the {{G W}} Approximation},
+	title = {Beyond the {{G W}} Approximation: {{Combining}} Correlation Channels},
+	volume = {85},
+	year = {2012},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.85.155131}}
 
 @article{Rostgaard_2010,
-	Author = {Rostgaard, C. and Jacobsen, K. W. and Thygesen, K. S.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.81.085103},
-	File = {/Users/loos/Zotero/storage/4665L3NK/Rostgaard_2010.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = feb,
-	Number = {8},
-	Pages = {085103},
-	Title = {Fully Self-Consistent {{GW}} Calculations for Molecules},
-	Volume = {81},
-	Year = {2010},
+	author = {Rostgaard, C. and Jacobsen, K. W. and Thygesen, K. S.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.81.085103},
+	file = {/Users/loos/Zotero/storage/4665L3NK/Rostgaard_2010.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = feb,
+	number = {8},
+	pages = {085103},
+	title = {Fully Self-Consistent {{GW}} Calculations for Molecules},
+	volume = {81},
+	year = {2010},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.81.085103}}
 
 @article{Runge_1984,
-	Author = {Runge, E. and Gross, E. K. U.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevLett.52.997},
-	Journal = {Phys. Rev. Lett.},
-	Pages = {997--1000},
-	Title = {Density-Functional Theory for Time-Dependent Systems},
-	Volume = 52,
-	Year = 1984,
+	author = {Runge, E. and Gross, E. K. U.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevLett.52.997},
+	journal = {Phys. Rev. Lett.},
+	pages = {997--1000},
+	title = {Density-Functional Theory for Time-Dependent Systems},
+	volume = 52,
+	year = 1984,
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.52.997}}
 
 @article{Sangalli_2011,
-	Author = {Sangalli, Davide and Romaniello, Pina and Onida, Giovanni and Marini, Andrea},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1063/1.3518705},
-	File = {/Users/loos/Zotero/storage/9S3XW2FJ/Sangalli et al. - 2011 - Double excitations in correlated systems A many--b.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = jan,
-	Number = {3},
-	Pages = {034115},
-	Shorttitle = {Double Excitations in Correlated Systems},
-	Title = {Double Excitations in Correlated Systems: {{A}} Many\textendash{}Body Approach},
-	Volume = {134},
-	Year = {2011},
+	author = {Sangalli, Davide and Romaniello, Pina and Onida, Giovanni and Marini, Andrea},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1063/1.3518705},
+	file = {/Users/loos/Zotero/storage/9S3XW2FJ/Sangalli et al. - 2011 - Double excitations in correlated systems A many--b.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = jan,
+	number = {3},
+	pages = {034115},
+	shorttitle = {Double Excitations in Correlated Systems},
+	title = {Double Excitations in Correlated Systems: {{A}} Many\textendash{}Body Approach},
+	volume = {134},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3518705}}
 
 @article{Schirmer_1982,
-	Author = {Jochen Schirmer},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevA.26.2395},
-	Journal = PRA,
-	Pages = {2395--2416},
-	Title = {Beyond the Random-Phase Approximation: a new Approximation Scheme for the Polarization Propagator},
-	Volume = 26,
-	Year = 1982,
+	author = {Jochen Schirmer},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevA.26.2395},
+	journal = PRA,
+	pages = {2395--2416},
+	title = {Beyond the Random-Phase Approximation: a new Approximation Scheme for the Polarization Propagator},
+	volume = 26,
+	year = 1982,
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.26.2395}}
 
 @article{Schirmer_1991,
-	Author = {Jochen Schirmer},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevA.43.4647},
-	Journal = {Phys. Rev. A.},
-	Pages = {4647--4659},
-	Title = {Closed-Form Intermediate Representations of Many-Body Propagators and Resolvent Matrices},
-	Volume = {43},
-	Year = {1991},
+	author = {Jochen Schirmer},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevA.43.4647},
+	journal = {Phys. Rev. A.},
+	pages = {4647--4659},
+	title = {Closed-Form Intermediate Representations of Many-Body Propagators and Resolvent Matrices},
+	volume = {43},
+	year = {1991},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.43.4647}}
 
 @article{Schirmer_2004d,
-	Author = {Schirmer, J. and Trofimov, A. B.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {http://dx.doi.org/10.1063/1.1752875},
-	Journal = {J. Chem. Phys.},
-	Pages = {11449-11464},
-	Title = {Intermediate State Representation Approach to Physical Properties of Electronically Excited Molecules},
-	Url = {http://scitation.aip.org/content/aip/journal/jcp/120/24/10.1063/1.1752875},
-	Volume = {120},
-	Year = {2004},
+	author = {Schirmer, J. and Trofimov, A. B.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {http://dx.doi.org/10.1063/1.1752875},
+	journal = {J. Chem. Phys.},
+	pages = {11449-11464},
+	title = {Intermediate State Representation Approach to Physical Properties of Electronically Excited Molecules},
+	url = {http://scitation.aip.org/content/aip/journal/jcp/120/24/10.1063/1.1752875},
+	volume = {120},
+	year = {2004},
 	Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/120/24/10.1063/1.1752875},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1752875}}
 
 @book{Schirmer_2018,
-	Author = {Jochen Schirmer},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Publisher = {Springer},
-	Title = {Many-Body Methods for Atoms, Molecules and Clusters},
-	Year = {2018}}
+	author = {Jochen Schirmer},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	publisher = {Springer},
+	title = {Many-Body Methods for Atoms, Molecules and Clusters},
+	year = {2018}}
 
 @article{Schreiber_2008,
-	Author = {Schreiber, M. and Silva-Junior, M. R. and Sauer, S. P. A. and Thiel, W.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Journal = {J. Chem. Phys.},
-	Pages = {134110},
-	Title = {Benchmarks for Electronically Excited States: CASPT2, CC2, CCSD and CC3},
-	Volume = {128},
-	Year = {2008}}
+	author = {Schreiber, M. and Silva-Junior, M. R. and Sauer, S. P. A. and Thiel, W.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	journal = {J. Chem. Phys.},
+	pages = {134110},
+	title = {Benchmarks for Electronically Excited States: CASPT2, CC2, CCSD and CC3},
+	volume = {128},
+	year = {2008}}
 
 @article{Sears_2011,
-	Author = {Sears,John S. and Koerzdoerfer,Thomas and Zhang,Cai-Rong and Br{\'{e}}das,Jean-Luc},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1063/1.3656734},
-	Eprint = {https://doi.org/10.1063/1.3656734},
-	Journal = {J. Chem. Phys.},
-	Number = {15},
-	Pages = {151103},
-	Title = {Communication: Orbital instabilities and triplet states from time-dependent density functional theory and long-range corrected functionals},
-	Url = {https://doi.org/10.1063/1.3656734},
-	Volume = {135},
-	Year = {2011},
+	author = {Sears,John S. and Koerzdoerfer,Thomas and Zhang,Cai-Rong and Br{\'{e}}das,Jean-Luc},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1063/1.3656734},
+	eprint = {https://doi.org/10.1063/1.3656734},
+	journal = {J. Chem. Phys.},
+	number = {15},
+	pages = {151103},
+	title = {Communication: Orbital instabilities and triplet states from time-dependent density functional theory and long-range corrected functionals},
+	url = {https://doi.org/10.1063/1.3656734},
+	volume = {135},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3656734}}
 
 @article{Seeger_1977,
-	Author = {Seeger,Rolf and Pople,John A.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
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-	Eprint = {https://doi.org/10.1063/1.434318},
-	Journal = {J. Chem. Phys.},
-	Number = {7},
-	Pages = {3045-3050},
-	Title = {Self‐consistent molecular orbital methods. XVIII. Constraints and stability in Hartree--Fock theory},
-	Url = {https://doi.org/10.1063/1.434318},
-	Volume = {66},
-	Year = {1977},
+	author = {Seeger,Rolf and Pople,John A.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1063/1.434318},
+	eprint = {https://doi.org/10.1063/1.434318},
+	journal = {J. Chem. Phys.},
+	number = {7},
+	pages = {3045-3050},
+	title = {Self‐consistent molecular orbital methods. XVIII. Constraints and stability in Hartree--Fock theory},
+	url = {https://doi.org/10.1063/1.434318},
+	volume = {66},
+	year = {1977},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.434318}}
 
 @article{Sham_1966,
-	Author = {Sham, L. J. and Rice, T. M.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRev.144.708},
-	Issue = {2},
-	Journal = {Phys. Rev.},
-	Month = {Apr},
-	Numpages = {0},
-	Pages = {708--714},
-	Publisher = {American Physical Society},
-	Title = {Many-Particle Derivation of the Effective-Mass Equation for the Wannier Exciton},
-	Url = {https://link.aps.org/doi/10.1103/PhysRev.144.708},
-	Volume = {144},
-	Year = {1966},
+	author = {Sham, L. J. and Rice, T. M.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRev.144.708},
+	issue = {2},
+	journal = {Phys. Rev.},
+	month = {Apr},
+	numpages = {0},
+	pages = {708--714},
+	publisher = {American Physical Society},
+	title = {Many-Particle Derivation of the Effective-Mass Equation for the Wannier Exciton},
+	url = {https://link.aps.org/doi/10.1103/PhysRev.144.708},
+	volume = {144},
+	year = {1966},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRev.144.708},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRev.144.708}}
 
 @article{Sham_1983,
-	Author = {Sham, L. J. and Schl\"uter, M.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
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-	Issue = {20},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Nov},
-	Numpages = {0},
-	Pages = {1888--1891},
-	Publisher = {American Physical Society},
-	Title = {Density-Functional Theory of the Energy Gap},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevLett.51.1888},
-	Volume = {51},
-	Year = {1983},
+	author = {Sham, L. J. and Schl\"uter, M.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevLett.51.1888},
+	issue = {20},
+	journal = {Phys. Rev. Lett.},
+	month = {Nov},
+	numpages = {0},
+	pages = {1888--1891},
+	publisher = {American Physical Society},
+	title = {Density-Functional Theory of the Energy Gap},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.51.1888},
+	volume = {51},
+	year = {1983},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.51.1888},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.51.1888}}
 
 @article{Sharifzadeh_2013,
-	Author = {Sharifzadeh, Sahar and Darancet, Pierre and Kronik, Leeor and Neaton, Jeffrey B.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
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-	Journal = {J. Phys. Chem. Lett.},
-	Number = {13},
-	Pages = {2197-2201},
-	Title = {Low-Energy Charge-Transfer Excitons in Organic Solids from First-Principles: The Case of Pentacene},
-	Url = {https://doi.org/10.1021/jz401069f},
-	Volume = {4},
-	Year = {2013},
+	author = {Sharifzadeh, Sahar and Darancet, Pierre and Kronik, Leeor and Neaton, Jeffrey B.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1021/jz401069f},
+	eprint = {https://doi.org/10.1021/jz401069f},
+	journal = {J. Phys. Chem. Lett.},
+	number = {13},
+	pages = {2197-2201},
+	title = {Low-Energy Charge-Transfer Excitons in Organic Solids from First-Principles: The Case of Pentacene},
+	url = {https://doi.org/10.1021/jz401069f},
+	volume = {4},
+	year = {2013},
 	Bdsk-Url-1 = {https://doi.org/10.1021/jz401069f}}
 
 @article{Shishkin_2007,
-	Author = {Shishkin, M. and Kresse, G.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.75.235102},
-	File = {/Users/loos/Zotero/storage/24DHAPLN/Shishkin_2007.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = jun,
-	Number = {23},
-	Pages = {235102},
-	Title = {Self-Consistent {{G W}} Calculations for Semiconductors and Insulators},
-	Volume = {75},
-	Year = {2007},
+	author = {Shishkin, M. and Kresse, G.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.75.235102},
+	file = {/Users/loos/Zotero/storage/24DHAPLN/Shishkin_2007.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = jun,
+	number = {23},
+	pages = {235102},
+	title = {Self-Consistent {{G W}} Calculations for Semiconductors and Insulators},
+	volume = {75},
+	year = {2007},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.75.235102}}
 
 @article{Sottile_2003,
-	Author = {Francesco Sottile and Valerio Olevano and Lucia Reining},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevLett.91.056402},
-	Journal = {Phys. Rev. Lett.},
-	Pages = {056402},
-	Title = {Parameter-Free Calculation of Response Functions in Time-Dependent Density-Functional Theory},
-	Volume = {91},
-	Year = {2003},
+	author = {Francesco Sottile and Valerio Olevano and Lucia Reining},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevLett.91.056402},
+	journal = {Phys. Rev. Lett.},
+	pages = {056402},
+	title = {Parameter-Free Calculation of Response Functions in Time-Dependent Density-Functional Theory},
+	volume = {91},
+	year = {2003},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.91.056402}}
 
 @article{Stan_2009,
-	Author = {Stan, Adrian and Dahlen, Nils Erik and {van Leeuwen}, Robert},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1063/1.3089567},
-	File = {/Users/loos/Zotero/storage/M4YMAWCH/Stan_2009.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = mar,
-	Number = {11},
-	Pages = {114105},
-	Title = {Levels of Self-Consistency in the {{GW}} Approximation},
-	Volume = {130},
-	Year = {2009},
+	author = {Stan, Adrian and Dahlen, Nils Erik and {van Leeuwen}, Robert},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1063/1.3089567},
+	file = {/Users/loos/Zotero/storage/M4YMAWCH/Stan_2009.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = mar,
+	number = {11},
+	pages = {114105},
+	title = {Levels of Self-Consistency in the {{GW}} Approximation},
+	volume = {130},
+	year = {2009},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.3089567}}
 
 @article{Stein_2009,
-	Author = {Stein, Tamar and Kronik, Leeor and Baer, Roi},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1021/ja8087482},
-	Eprint = {https://doi.org/10.1021/ja8087482},
-	Journal = {J. Am. Chem. Soc.},
-	Note = {PMID: 19239266},
-	Number = {8},
-	Pages = {2818-2820},
-	Title = {Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Using Time-Dependent Density Functional Theory},
-	Url = {https://doi.org/10.1021/ja8087482},
-	Volume = {131},
-	Year = {2009},
+	author = {Stein, Tamar and Kronik, Leeor and Baer, Roi},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1021/ja8087482},
+	eprint = {https://doi.org/10.1021/ja8087482},
+	journal = {J. Am. Chem. Soc.},
+	note = {PMID: 19239266},
+	number = {8},
+	pages = {2818-2820},
+	title = {Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Using Time-Dependent Density Functional Theory},
+	url = {https://doi.org/10.1021/ja8087482},
+	volume = {131},
+	year = {2009},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ja8087482}}
 
 @article{Stein_2010,
-	Author = {Tamar Stein and Helen Eisenberg and Leeor Kronik and Roi Baer},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevLett.105.266802},
-	Journal = {Phys. Rev. Lett.},
-	Pages = {266802},
-	Title = {Fundamental Gaps in Finite Systems from Eigenvalues of a Generalized Kohn-Sham Method},
-	Volume = {105},
-	Year = {2010},
+	author = {Tamar Stein and Helen Eisenberg and Leeor Kronik and Roi Baer},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevLett.105.266802},
+	journal = {Phys. Rev. Lett.},
+	pages = {266802},
+	title = {Fundamental Gaps in Finite Systems from Eigenvalues of a Generalized Kohn-Sham Method},
+	volume = {105},
+	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.105.266802}}
 
 @article{Stein_2012,
-	Author = {Tamar Stein and Jochen Autschbach and Niranjan Govind and Leeor Kronik and Roi Baer},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1021/jz3015937},
-	Journal = {J. Phys. Chem. Lett.},
-	Pages = {3740},
-	Title = {Curvature and Frontier Orbital Energies in Density Functional Theory},
-	Volume = {3},
-	Year = {2012},
+	author = {Tamar Stein and Jochen Autschbach and Niranjan Govind and Leeor Kronik and Roi Baer},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1021/jz3015937},
+	journal = {J. Phys. Chem. Lett.},
+	pages = {3740},
+	title = {Curvature and Frontier Orbital Energies in Density Functional Theory},
+	volume = {3},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1021/jz3015937}}
 
 @article{Strinati_1980,
-	Author = {Strinati, G. and Mattausch, H. J. and Hanke, W.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevLett.45.290},
-	Issue = {4},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Jul},
-	Numpages = {0},
-	Pages = {290--294},
-	Publisher = {American Physical Society},
-	Title = {Dynamical Correlation Effects on the Quasiparticle Bloch States of a Covalent Crystal},
-	Url = {http://link.aps.org/doi/10.1103/PhysRevLett.45.290},
-	Volume = {45},
-	Year = {1980},
+	author = {Strinati, G. and Mattausch, H. J. and Hanke, W.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevLett.45.290},
+	issue = {4},
+	journal = {Phys. Rev. Lett.},
+	month = {Jul},
+	numpages = {0},
+	pages = {290--294},
+	publisher = {American Physical Society},
+	title = {Dynamical Correlation Effects on the Quasiparticle Bloch States of a Covalent Crystal},
+	url = {http://link.aps.org/doi/10.1103/PhysRevLett.45.290},
+	volume = {45},
+	year = {1980},
 	Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.45.290},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.45.290}}
 
 @article{Strinati_1988,
-	Author = {Strinati, G.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1007/BF02725962},
-	Issn = {1826-9850},
-	Journal = {Riv. Nuovo Cimento},
-	Language = {en},
-	Month = dec,
-	Number = {12},
-	Pages = {1--86},
-	Title = {Application of the {{Green}}'s Functions Method to the Study of the Optical Properties of Semiconductors},
-	Volume = {11},
-	Year = {1988},
+	author = {Strinati, G.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1007/BF02725962},
+	issn = {1826-9850},
+	journal = {Riv. Nuovo Cimento},
+	language = {en},
+	month = dec,
+	number = {12},
+	pages = {1--86},
+	title = {Application of the {{Green}}'s Functions Method to the Study of the Optical Properties of Semiconductors},
+	volume = {11},
+	year = {1988},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1007/BF02725962}}
 
 @article{Toulouse_2005,
-	Author = {J. Toulouse and P. Gori-Giorgi and A. Savin},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Journal = {Theor. Chem. Acc.},
-	Pages = {305},
-	Title = {A Short-Range Correlation Energy Density Functional With Multi-Determinantal Reference},
-	Volume = {114},
-	Year = {2005}}
+	author = {J. Toulouse and P. Gori-Giorgi and A. Savin},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	journal = {Theor. Chem. Acc.},
+	pages = {305},
+	title = {A Short-Range Correlation Energy Density Functional With Multi-Determinantal Reference},
+	volume = {114},
+	year = {2005}}
 
 @article{Trofimov_1997,
-	Abstract = {The electronic excitation spectrum of pyrrole is studied using a polarization propagator method referred to as the second-order algebraic-diagrammatic construction (ADC(2)), along with a simple model for vibrational excitation accounting for all totally symmetric modes. The method describes the optical absorption profile of pyrrole with an expected accuracy of 0.2 -- 0.4 eV for the vertical excitation energies. The vibrational analysis provides for detailed additional spectroscopic information. In the singlet spectrum, besides the ns, np and nd (n = 3,4) Rydberg excitations, three π-π∗ valence transitions, V′(1A1), V(1B2) and V(1A1) can clearly be distinguished. No evidence is found for Rydberg-valence interaction near the equilibrium geometry. Substantial vibrational widths and distinct vibrational excitation patterns are predicted for the Rydberg series converging to the first and second ionization thresholds. Some new assignments of major spectral features are proposed. The long-wave absorption maximum in the 5.6 -- 6.6. eV region is explained exclusively by the presence of Rydberg transitions, while the most intense absorption in the short-wave band system (7.0 -- 8.3 ev) predominantly originates from the V(1B2) and V(1A1) valence transitions.},
-	Author = {A.B. Trofimov and J. Schirmer},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {https://doi.org/10.1016/S0301-0104(96)00303-5},
-	Issn = {0301-0104},
-	Journal = {Chem. Phys.},
-	Number = {2},
-	Pages = {153--170},
-	Title = {Polarization Propagator Study of Electronic Excitation in key Heterocyclic Molecules I. Pyrrole},
-	Url = {http://www.sciencedirect.com/science/article/pii/S0301010496003035},
-	Volume = {214},
-	Year = {1997},
+	abstract = {The electronic excitation spectrum of pyrrole is studied using a polarization propagator method referred to as the second-order algebraic-diagrammatic construction (ADC(2)), along with a simple model for vibrational excitation accounting for all totally symmetric modes. The method describes the optical absorption profile of pyrrole with an expected accuracy of 0.2 -- 0.4 eV for the vertical excitation energies. The vibrational analysis provides for detailed additional spectroscopic information. In the singlet spectrum, besides the ns, np and nd (n = 3,4) Rydberg excitations, three π-π∗ valence transitions, V′(1A1), V(1B2) and V(1A1) can clearly be distinguished. No evidence is found for Rydberg-valence interaction near the equilibrium geometry. Substantial vibrational widths and distinct vibrational excitation patterns are predicted for the Rydberg series converging to the first and second ionization thresholds. Some new assignments of major spectral features are proposed. The long-wave absorption maximum in the 5.6 -- 6.6. eV region is explained exclusively by the presence of Rydberg transitions, while the most intense absorption in the short-wave band system (7.0 -- 8.3 ev) predominantly originates from the V(1B2) and V(1A1) valence transitions.},
+	author = {A.B. Trofimov and J. Schirmer},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {https://doi.org/10.1016/S0301-0104(96)00303-5},
+	issn = {0301-0104},
+	journal = {Chem. Phys.},
+	number = {2},
+	pages = {153--170},
+	title = {Polarization Propagator Study of Electronic Excitation in key Heterocyclic Molecules I. Pyrrole},
+	url = {http://www.sciencedirect.com/science/article/pii/S0301010496003035},
+	volume = {214},
+	year = {1997},
 	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0301010496003035},
 	Bdsk-Url-2 = {https://doi.org/10.1016/S0301-0104(96)00303-5}}
 
 @article{Trofimov_1997b,
-	Abstract = {The electronic spectrum of furan is investigated theoretically beyond the previous vertical-electronic description. A polarization propagator method referred to as second-order algebraic-diagrammatic construction (ADC(2)) has been used in the electronic structure calculations. The vibrational excitation accompanying the electronic transitions is described with the aid of a linear electron-vibrational coupling model. The spectral information thereby obtained permits extensive comparison with experiment. The average accuracy of the present method, estimated by comparing adiabatic transition energies, is better than 0.4 eV. Only for the lowest π-π∗ valance transition, V′(1A1) and V′(1B2), and for the Rydberg excitations agree The results for the other π-π∗ valence transitions, V(1B2), and for the Rydberg excitations agree well with findings of previous experimental and theoretical work. A (multistate) vibronic coupling effect involving the V′(1A1) and V(1B2) valence transitions and the 3s(1A2 Rydberg excitation is suggested as the reason for the highly diffuse character of the 5.7--6.7 eV photoabsorption band.},
-	Author = {A.B. Trofimov and J. Schirmer},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {https://doi.org/10.1016/S0301-0104(97)00256-5},
-	Issn = {0301-0104},
-	Journal = {Chem. Phys.},
-	Number = {2},
-	Pages = {175--190},
-	Title = {Polarization Propagator Study of Electronic Excitation in key Heterocyclic Molecules II. Furan},
-	Url = {http://www.sciencedirect.com/science/article/pii/S0301010497002565},
-	Volume = {224},
-	Year = {1997},
+	abstract = {The electronic spectrum of furan is investigated theoretically beyond the previous vertical-electronic description. A polarization propagator method referred to as second-order algebraic-diagrammatic construction (ADC(2)) has been used in the electronic structure calculations. The vibrational excitation accompanying the electronic transitions is described with the aid of a linear electron-vibrational coupling model. The spectral information thereby obtained permits extensive comparison with experiment. The average accuracy of the present method, estimated by comparing adiabatic transition energies, is better than 0.4 eV. Only for the lowest π-π∗ valance transition, V′(1A1) and V′(1B2), and for the Rydberg excitations agree The results for the other π-π∗ valence transitions, V(1B2), and for the Rydberg excitations agree well with findings of previous experimental and theoretical work. A (multistate) vibronic coupling effect involving the V′(1A1) and V(1B2) valence transitions and the 3s(1A2 Rydberg excitation is suggested as the reason for the highly diffuse character of the 5.7--6.7 eV photoabsorption band.},
+	author = {A.B. Trofimov and J. Schirmer},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {https://doi.org/10.1016/S0301-0104(97)00256-5},
+	issn = {0301-0104},
+	journal = {Chem. Phys.},
+	number = {2},
+	pages = {175--190},
+	title = {Polarization Propagator Study of Electronic Excitation in key Heterocyclic Molecules II. Furan},
+	url = {http://www.sciencedirect.com/science/article/pii/S0301010497002565},
+	volume = {224},
+	year = {1997},
 	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0301010497002565},
 	Bdsk-Url-2 = {https://doi.org/10.1016/S0301-0104(97)00256-5}}
 
 @article{Umari_2010,
-	Author = {Umari, P. and Stenuit, Geoffrey and Baroni, Stefano},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.81.115104},
-	Issue = {11},
-	Journal = {Phys. Rev. B},
-	Month = {Mar},
-	Numpages = {5},
-	Pages = {115104},
-	Publisher = {American Physical Society},
-	Title = {GW quasiparticle spectra from occupied states only},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.81.115104},
-	Volume = {81},
-	Year = {2010},
+	author = {Umari, P. and Stenuit, Geoffrey and Baroni, Stefano},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.81.115104},
+	issue = {11},
+	journal = {Phys. Rev. B},
+	month = {Mar},
+	numpages = {5},
+	pages = {115104},
+	publisher = {American Physical Society},
+	title = {GW quasiparticle spectra from occupied states only},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.81.115104},
+	volume = {81},
+	year = {2010},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.81.115104},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.81.115104}}
 
 @article{Verdozzi_1995,
-	Author = {Verdozzi, C. and Godby, R. W. and Holloway, S.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevLett.74.2327},
-	Issue = {12},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Mar},
-	Numpages = {0},
-	Pages = {2327--2330},
-	Publisher = {American Physical Society},
-	Title = {Evaluation of $\mathit{GW}$ Approximations for the Self-Energy of a Hubbard Cluster},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevLett.74.2327},
-	Volume = {74},
-	Year = {1995},
+	author = {Verdozzi, C. and Godby, R. W. and Holloway, S.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevLett.74.2327},
+	issue = {12},
+	journal = {Phys. Rev. Lett.},
+	month = {Mar},
+	numpages = {0},
+	pages = {2327--2330},
+	publisher = {American Physical Society},
+	title = {Evaluation of $\mathit{GW}$ Approximations for the Self-Energy of a Hubbard Cluster},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.74.2327},
+	volume = {74},
+	year = {1995},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.74.2327},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.74.2327}}
 
 @article{Veril_2018,
-	Author = {M. V{\'e}ril and P. Romaniello and J. A. Berger and P. F. Loos},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-06-01 08:13:45 +0200},
-	Doi = {10.1021/acs.jctc.8b00745},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {5220},
-	Title = {Unphysical Discontinuities in GW Methods},
-	Volume = {14},
-	Year = {2018},
+	author = {M. V{\'e}ril and P. Romaniello and J. A. Berger and P. F. Loos},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-06-01 08:13:45 +0200},
+	doi = {10.1021/acs.jctc.8b00745},
+	journal = {J. Chem. Theory Comput.},
+	pages = {5220},
+	title = {Unphysical Discontinuities in GW Methods},
+	volume = {14},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00745}}
 
 @article{Vinson_2011,
-	Author = {Vinson, J. and Rehr, J. J. and Kas, J. J. and Shirley, E. L.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.83.115106},
-	Issue = {11},
-	Journal = {Phys. Rev. B},
-	Month = {Mar},
-	Numpages = {7},
-	Pages = {115106},
-	Publisher = {American Physical Society},
-	Title = {Bethe-Salpeter equation calculations of core excitation spectra},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.83.115106},
-	Volume = {83},
-	Year = {2011},
+	author = {Vinson, J. and Rehr, J. J. and Kas, J. J. and Shirley, E. L.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.83.115106},
+	issue = {11},
+	journal = {Phys. Rev. B},
+	month = {Mar},
+	numpages = {7},
+	pages = {115106},
+	publisher = {American Physical Society},
+	title = {Bethe-Salpeter equation calculations of core excitation spectra},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.83.115106},
+	volume = {83},
+	year = {2011},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.83.115106},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.83.115106}}
 
 @article{Walker_2006,
-	Author = {Walker, Brent and Saitta, A. Marco and Gebauer, Ralph and Baroni, Stefano},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevLett.96.113001},
-	Issue = {11},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Mar},
-	Numpages = {4},
-	Pages = {113001},
-	Publisher = {American Physical Society},
-	Title = {Efficient Approach to Time-Dependent Density-Functional Perturbation Theory for Optical Spectroscopy},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevLett.96.113001},
-	Volume = {96},
-	Year = {2006},
+	author = {Walker, Brent and Saitta, A. Marco and Gebauer, Ralph and Baroni, Stefano},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevLett.96.113001},
+	issue = {11},
+	journal = {Phys. Rev. Lett.},
+	month = {Mar},
+	numpages = {4},
+	pages = {113001},
+	publisher = {American Physical Society},
+	title = {Efficient Approach to Time-Dependent Density-Functional Perturbation Theory for Optical Spectroscopy},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.96.113001},
+	volume = {96},
+	year = {2006},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.96.113001},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.96.113001}}
 
 @article{Wilhelm_2018,
-	Author = {Wilhelm, Jan and Golze, Dorothea and Talirz, Leopold and Hutter, J{\"u}rg and Pignedoli, Carlo A.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1021/acs.jpclett.7b02740},
-	Eprint = {https://doi.org/10.1021/acs.jpclett.7b02740},
-	Journal = {The Journal of Physical Chemistry Letters},
-	Note = {PMID: 29280376},
-	Number = {2},
-	Pages = {306-312},
-	Title = {Toward GW Calculations on Thousands of Atoms},
-	Url = {https://doi.org/10.1021/acs.jpclett.7b02740},
-	Volume = {9},
-	Year = {2018},
+	author = {Wilhelm, Jan and Golze, Dorothea and Talirz, Leopold and Hutter, J{\"u}rg and Pignedoli, Carlo A.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1021/acs.jpclett.7b02740},
+	eprint = {https://doi.org/10.1021/acs.jpclett.7b02740},
+	journal = {The Journal of Physical Chemistry Letters},
+	note = {PMID: 29280376},
+	number = {2},
+	pages = {306-312},
+	title = {Toward GW Calculations on Thousands of Atoms},
+	url = {https://doi.org/10.1021/acs.jpclett.7b02740},
+	volume = {9},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.7b02740}}
 
 @article{Yabana_1996,
-	Author = {Yabana, K. and Bertsch, G. F.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevB.54.4484},
-	Issue = {7},
-	Journal = {Phys. Rev. B},
-	Month = {Aug},
-	Numpages = {0},
-	Pages = {4484--4487},
-	Publisher = {American Physical Society},
-	Title = {Time-Dependent Local-Density Approximation in Real Time},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.54.4484},
-	Volume = {54},
-	Year = {1996},
+	author = {Yabana, K. and Bertsch, G. F.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevB.54.4484},
+	issue = {7},
+	journal = {Phys. Rev. B},
+	month = {Aug},
+	numpages = {0},
+	pages = {4484--4487},
+	publisher = {American Physical Society},
+	title = {Time-Dependent Local-Density Approximation in Real Time},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.54.4484},
+	volume = {54},
+	year = {1996},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.54.4484},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.54.4484}}
 
 @article{Yin_2013,
-	Author = {Yin, Z. P. and Kutepov, A. and Kotliar, G.},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1103/PhysRevX.3.021011},
-	Issue = {2},
-	Journal = {Phys. Rev. X},
-	Month = {May},
-	Numpages = {20},
-	Pages = {021011},
-	Publisher = {American Physical Society},
-	Title = {Correlation-Enhanced Electron-Phonon Coupling: Applications of $GW$ and Screened Hybrid Functional to Bismuthates, Chloronitrides, and Other High-${T}_{c}$ Superconductors},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevX.3.021011},
-	Volume = {3},
-	Year = {2013},
+	author = {Yin, Z. P. and Kutepov, A. and Kotliar, G.},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1103/PhysRevX.3.021011},
+	issue = {2},
+	journal = {Phys. Rev. X},
+	month = {May},
+	numpages = {20},
+	pages = {021011},
+	publisher = {American Physical Society},
+	title = {Correlation-Enhanced Electron-Phonon Coupling: Applications of $GW$ and Screened Hybrid Functional to Bismuthates, Chloronitrides, and Other High-${T}_{c}$ Superconductors},
+	url = {https://link.aps.org/doi/10.1103/PhysRevX.3.021011},
+	volume = {3},
+	year = {2013},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevX.3.021011},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevX.3.021011}}
 
 @article{Zhang_2013,
-	Author = {Zhang,Du and Steinmann,Stephan N. and Yang,Weitao},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-21 08:40:56 +0200},
-	Doi = {10.1063/1.4824907},
-	Journal = {J. Chem. Phys.},
-	Number = {15},
-	Pages = {154109},
-	Title = {Dynamical second-order Bethe-Salpeter equation kernel: A method for electronic excitation beyond the adiabatic approximation},
-	Volume = {139},
-	Year = {2013},
+	author = {Zhang,Du and Steinmann,Stephan N. and Yang,Weitao},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-21 08:40:56 +0200},
+	doi = {10.1063/1.4824907},
+	journal = {J. Chem. Phys.},
+	number = {15},
+	pages = {154109},
+	title = {Dynamical second-order Bethe-Salpeter equation kernel: A method for electronic excitation beyond the adiabatic approximation},
+	volume = {139},
+	year = {2013},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4824907}}
 
 @article{Ziaei_2016,
-	Author = {Ziaei,Vafa and Bredow,Thomas},
-	Date-Added = {2020-05-18 21:40:28 +0200},
-	Date-Modified = {2020-05-18 21:40:28 +0200},
-	Doi = {10.1063/1.4966920},
-	Eprint = {https://doi.org/10.1063/1.4966920},
-	Journal = {The Journal of Chemical Physics},
-	Number = {17},
-	Pages = {174305},
-	Title = {GW-BSE approach on S1 vertical transition energy of large charge transfer compounds: A performance assessment},
-	Url = {https://doi.org/10.1063/1.4966920},
-	Volume = {145},
-	Year = {2016},
+	author = {Ziaei,Vafa and Bredow,Thomas},
+	date-added = {2020-05-18 21:40:28 +0200},
+	date-modified = {2020-05-18 21:40:28 +0200},
+	doi = {10.1063/1.4966920},
+	eprint = {https://doi.org/10.1063/1.4966920},
+	journal = {The Journal of Chemical Physics},
+	number = {17},
+	pages = {174305},
+	title = {GW-BSE approach on S1 vertical transition energy of large charge transfer compounds: A performance assessment},
+	url = {https://doi.org/10.1063/1.4966920},
+	volume = {145},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4966920}}
 
 @article{Golze_2019,
-	Author = {Golze, Dorothea and Dvorak, Marc and Rinke, Patrick},
-	Date-Added = {2020-05-18 21:37:56 +0200},
-	Date-Modified = {2020-05-18 21:38:00 +0200},
-	Doi = {10.3389/fchem.2019.00377},
-	Issn = {2296-2646},
-	Journal = {Front. Chem.},
-	Pages = {377},
-	Title = {The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy},
-	Url = {https://www.frontiersin.org/article/10.3389/fchem.2019.00377},
-	Volume = {7},
-	Year = {2019},
+	author = {Golze, Dorothea and Dvorak, Marc and Rinke, Patrick},
+	date-added = {2020-05-18 21:37:56 +0200},
+	date-modified = {2020-05-18 21:38:00 +0200},
+	doi = {10.3389/fchem.2019.00377},
+	issn = {2296-2646},
+	journal = {Front. Chem.},
+	pages = {377},
+	title = {The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy},
+	url = {https://www.frontiersin.org/article/10.3389/fchem.2019.00377},
+	volume = {7},
+	year = {2019},
 	Bdsk-Url-1 = {https://www.frontiersin.org/article/10.3389/fchem.2019.00377},
 	Bdsk-Url-2 = {https://doi.org/10.3389/fchem.2019.00377}}
 
 @misc{MRCC,
-	Author = {M. K{\'a}llay and Z. Rolik and J. Csontos and P. Nagy and G. Samu and D. Mester and J. Cs{\'o}ka and B. Szab{\'o} and I. Ladj{\'a}nszki and L. Szegedy and B. Lad{\'o}czki and K. Petrov and M. Farkas and P. D. Mezei and B. H{\'e}gely.},
-	Date-Added = {2020-03-20 19:18:12 +0100},
-	Date-Modified = {2020-03-20 19:18:39 +0100},
-	Title = {MRCC, Quantum Chemical Program},
-	Year = {2017}}
+	author = {M. K{\'a}llay and Z. Rolik and J. Csontos and P. Nagy and G. Samu and D. Mester and J. Cs{\'o}ka and B. Szab{\'o} and I. Ladj{\'a}nszki and L. Szegedy and B. Lad{\'o}czki and K. Petrov and M. Farkas and P. D. Mezei and B. H{\'e}gely.},
+	date-added = {2020-03-20 19:18:12 +0100},
+	date-modified = {2020-03-20 19:18:39 +0100},
+	title = {MRCC, Quantum Chemical Program},
+	year = {2017}}
 
 @incollection{Hattig_2005c,
-	Author = {Christof H{\"a}ttig},
-	Booktitle = {Response Theory and Molecular Properties (A Tribute to Jan Linderberg and Poul J{\o}rgensen)},
-	Date-Added = {2020-02-08 14:52:12 +0100},
-	Date-Modified = {2020-02-08 14:52:20 +0100},
-	Doi = {http://dx.doi.org/10.1016/S0065-3276(05)50003-0},
-	Editor = {H.J. \AA\ Jensen},
-	Issn = {0065-3276},
-	Pages = {37--60},
-	Publisher = {Academic Press},
-	Series = {Advances in Quantum Chemistry},
-	Title = {Structure Optimizations for Excited States with Correlated Second-Order Methods: CC2 and ADC(2)},
-	Url = {http://www.sciencedirect.com/science/article/pii/S0065327605500030},
-	Volume = {50},
-	Year = {2005},
+	author = {Christof H{\"a}ttig},
+	booktitle = {Response Theory and Molecular Properties (A Tribute to Jan Linderberg and Poul J{\o}rgensen)},
+	date-added = {2020-02-08 14:52:12 +0100},
+	date-modified = {2020-02-08 14:52:20 +0100},
+	doi = {http://dx.doi.org/10.1016/S0065-3276(05)50003-0},
+	editor = {H.J. \AA\ Jensen},
+	issn = {0065-3276},
+	pages = {37--60},
+	publisher = {Academic Press},
+	series = {Advances in Quantum Chemistry},
+	title = {Structure Optimizations for Excited States with Correlated Second-Order Methods: CC2 and ADC(2)},
+	url = {http://www.sciencedirect.com/science/article/pii/S0065327605500030},
+	volume = {50},
+	year = {2005},
 	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0065327605500030},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1016/S0065-3276(05)50003-0}}
 
 @article{Psi4,
-	Author = {Parrish, Robert M. and Burns, Lori A. and Smith, Daniel G. A. and Simmonett, Andrew C. and DePrince, A. Eugene and Hohenstein, Edward G. and Bozkaya, U{\u g}ur and Sokolov, Alexander Yu. and Di Remigio, Roberto and Richard, Ryan M. and Gonthier, J{\'e}r{\^o}me F. and James, Andrew M. and McAlexander, Harley R. and Kumar, Ashutosh and Saitow, Masaaki and Wang, Xiao and Pritchard, Benjamin P. and Verma, Prakash and Schaefer, Henry F. and Patkowski, Konrad and King, Rollin A. and Valeev, Edward F. and Evangelista, Francesco A. and Turney, Justin M. and Crawford, T. Daniel and Sherrill, C. David},
-	Date-Added = {2020-02-08 14:50:26 +0100},
-	Date-Modified = {2020-02-08 14:50:26 +0100},
-	Doi = {10.1021/acs.jctc.7b00174},
-	Eprint = {https://doi.org/10.1021/acs.jctc.7b00174},
-	Journal = {J. Chem. Theory Comput.},
-	Note = {PMID: 28489372},
-	Number = {7},
-	Pages = {3185--3197},
-	Title = {Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability},
-	Url = {https://doi.org/10.1021/acs.jctc.7b00174},
-	Volume = {13},
-	Year = {2017},
+	author = {Parrish, Robert M. and Burns, Lori A. and Smith, Daniel G. A. and Simmonett, Andrew C. and DePrince, A. Eugene and Hohenstein, Edward G. and Bozkaya, U{\u g}ur and Sokolov, Alexander Yu. and Di Remigio, Roberto and Richard, Ryan M. and Gonthier, J{\'e}r{\^o}me F. and James, Andrew M. and McAlexander, Harley R. and Kumar, Ashutosh and Saitow, Masaaki and Wang, Xiao and Pritchard, Benjamin P. and Verma, Prakash and Schaefer, Henry F. and Patkowski, Konrad and King, Rollin A. and Valeev, Edward F. and Evangelista, Francesco A. and Turney, Justin M. and Crawford, T. Daniel and Sherrill, C. David},
+	date-added = {2020-02-08 14:50:26 +0100},
+	date-modified = {2020-02-08 14:50:26 +0100},
+	doi = {10.1021/acs.jctc.7b00174},
+	eprint = {https://doi.org/10.1021/acs.jctc.7b00174},
+	journal = {J. Chem. Theory Comput.},
+	note = {PMID: 28489372},
+	number = {7},
+	pages = {3185--3197},
+	title = {Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability},
+	url = {https://doi.org/10.1021/acs.jctc.7b00174},
+	volume = {13},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b00174}}
 
 @article{Harding_2008,
-	Author = {M. E. Harding and J. Vazquez and B. Ruscic and A. K. Wilson and J. Gauss and J. F. Stanton},
-	Date-Added = {2020-01-26 20:25:15 +0100},
-	Date-Modified = {2020-02-05 21:00:11 +0100},
-	Doi = {10.1063/1.2835612},
-	Journal = {J. Chem. Phys.},
-	Pages = {114111},
-	Title = {High-Accuracy Extrapolated ab Initio Thermochemistry. III. Additional Improvements and Overview},
-	Volume = {128},
-	Year = {2008},
+	author = {M. E. Harding and J. Vazquez and B. Ruscic and A. K. Wilson and J. Gauss and J. F. Stanton},
+	date-added = {2020-01-26 20:25:15 +0100},
+	date-modified = {2020-02-05 21:00:11 +0100},
+	doi = {10.1063/1.2835612},
+	journal = {J. Chem. Phys.},
+	pages = {114111},
+	title = {High-Accuracy Extrapolated ab Initio Thermochemistry. III. Additional Improvements and Overview},
+	volume = {128},
+	year = {2008},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.2835612}}
 
 @article{dalton,
-	Author = {Aidas, Kestutis and Angeli, Celestino and Bak, Keld L. and Bakken, Vebj{\o}rn and Bast, Radovan and Boman, Linus and Christiansen, Ove and Cimiraglia, Renzo and Coriani, Sonia and Dahle, P{\aa}l and Dalskov, Erik K. and Ekstr{\"o}m, Ulf and Enevoldsen, Thomas and Eriksen, Janus J. and Ettenhuber, Patrick and Fern{\'a}ndez, Berta and Ferrighi, Lara and Fliegl, Heike and Frediani, Luca and Hald, Kasper and Halkier, Asger and H{\"a}ttig, Christof and Heiberg, Hanne and Helgaker, Trygve and Hennum, Alf Christian and Hettema, Hinne and Hjerten{\ae}s, Eirik and H{\o}st, Stinne and H{\o}yvik, Ida-Marie and Iozzi, Maria Francesca and Jans{\'\i}k, Branislav and Jensen, Hans J{\o}rgen Aa. and Jonsson, Dan and J{\o}rgensen, Poul and Kauczor, Joanna and Kirpekar, Sheela and Kj{\ae}rgaard, Thomas and Klopper, Wim and Knecht, Stefan and Kobayashi, Rika and Koch, Henrik and Kongsted, Jacob and Krapp, Andreas and Kristensen, Kasper and Ligabue, Andrea and Lutn{\ae}s, Ola B. and Melo, Juan I. and Mikkelsen, Kurt V. and Myhre, Rolf H. and Neiss, Christian and Nielsen, Christian B. and Norman, Patrick and Olsen, Jeppe and Olsen, J{\'o}gvan Magnus H. and Osted, Anders and Packer, Martin J. and Pawlowski, Filip and Pedersen, Thomas B. and Provasi, Patricio F. and Reine, Simen and Rinkevicius, Zilvinas and Ruden, Torgeir A. and Ruud, Kenneth and Rybkin, Vladimir V. and Sa{\l}ek, Pawel and Samson, Claire C. M. and de Mer{\'a}s, Alfredo S{\'a}nchez and Saue, Trond and Sauer, Stephan P. A. and Schimmelpfennig, Bernd and Sneskov, Kristian and Steindal, Arnfinn H. and Sylvester-Hvid, Kristian O. and Taylor, Peter R. and Teale, Andrew M. and Tellgren, Erik I. and Tew, David P. and Thorvaldsen, Andreas J. and Th{\o}gersen, Lea and Vahtras, Olav and Watson, Mark A. and Wilson, David J. D. and Ziolkowski, Marcin and {\AA}gren, Hans},
-	Date-Added = {2020-01-26 13:32:47 +0100},
-	Date-Modified = {2020-01-26 13:32:47 +0100},
-	Doi = {10.1002/wcms.1172},
-	Issn = {1759-0884},
-	Journal = {WIREs Comput. Mol. Sci.},
-	Number = {3},
-	Pages = {269--284},
-	Title = {The Dalton Quantum Chemistry Program System},
-	Url = {http://dx.doi.org/10.1002/wcms.1172},
-	Volume = {4},
-	Year = {2014},
+	author = {Aidas, Kestutis and Angeli, Celestino and Bak, Keld L. and Bakken, Vebj{\o}rn and Bast, Radovan and Boman, Linus and Christiansen, Ove and Cimiraglia, Renzo and Coriani, Sonia and Dahle, P{\aa}l and Dalskov, Erik K. and Ekstr{\"o}m, Ulf and Enevoldsen, Thomas and Eriksen, Janus J. and Ettenhuber, Patrick and Fern{\'a}ndez, Berta and Ferrighi, Lara and Fliegl, Heike and Frediani, Luca and Hald, Kasper and Halkier, Asger and H{\"a}ttig, Christof and Heiberg, Hanne and Helgaker, Trygve and Hennum, Alf Christian and Hettema, Hinne and Hjerten{\ae}s, Eirik and H{\o}st, Stinne and H{\o}yvik, Ida-Marie and Iozzi, Maria Francesca and Jans{\'\i}k, Branislav and Jensen, Hans J{\o}rgen Aa. and Jonsson, Dan and J{\o}rgensen, Poul and Kauczor, Joanna and Kirpekar, Sheela and Kj{\ae}rgaard, Thomas and Klopper, Wim and Knecht, Stefan and Kobayashi, Rika and Koch, Henrik and Kongsted, Jacob and Krapp, Andreas and Kristensen, Kasper and Ligabue, Andrea and Lutn{\ae}s, Ola B. and Melo, Juan I. and Mikkelsen, Kurt V. and Myhre, Rolf H. and Neiss, Christian and Nielsen, Christian B. and Norman, Patrick and Olsen, Jeppe and Olsen, J{\'o}gvan Magnus H. and Osted, Anders and Packer, Martin J. and Pawlowski, Filip and Pedersen, Thomas B. and Provasi, Patricio F. and Reine, Simen and Rinkevicius, Zilvinas and Ruden, Torgeir A. and Ruud, Kenneth and Rybkin, Vladimir V. and Sa{\l}ek, Pawel and Samson, Claire C. M. and de Mer{\'a}s, Alfredo S{\'a}nchez and Saue, Trond and Sauer, Stephan P. A. and Schimmelpfennig, Bernd and Sneskov, Kristian and Steindal, Arnfinn H. and Sylvester-Hvid, Kristian O. and Taylor, Peter R. and Teale, Andrew M. and Tellgren, Erik I. and Tew, David P. and Thorvaldsen, Andreas J. and Th{\o}gersen, Lea and Vahtras, Olav and Watson, Mark A. and Wilson, David J. D. and Ziolkowski, Marcin and {\AA}gren, Hans},
+	date-added = {2020-01-26 13:32:47 +0100},
+	date-modified = {2020-01-26 13:32:47 +0100},
+	doi = {10.1002/wcms.1172},
+	issn = {1759-0884},
+	journal = {WIREs Comput. Mol. Sci.},
+	number = {3},
+	pages = {269--284},
+	title = {The Dalton Quantum Chemistry Program System},
+	url = {http://dx.doi.org/10.1002/wcms.1172},
+	volume = {4},
+	year = {2014},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1002/wcms.1172}}
 
 @article{Chr95,
-	Abstract = {An approximate coupled cluster singles and doubles model is presented, denoted CC2. The \{CC2\} total energy is of second-order M{\o}ller-Plesset perturbation theory (MP2) quality. The \{CC2\} linear response function is derived. Unlike MP2, excitation energies and transition moments can be obtained in CC2. A hierarchy of coupled cluster models, CCS, CC2, CCSD, CC3, \{CCSDT\} etc., is presented where \{CC2\} and \{CC3\} are approximate coupled cluster models defined by similar approximations. Higher levels give increased accuracy at increased computational effort. The scaling of CCS, CC2, CCSD, \{CC3\} and \{CCSDT\} is N4, N5, N6, \{N7\} and N8, respectively where N is th the number of orbitals. Calculations on Be, \{N2\} and \{C2H4\} are performed and results compared with those obtained in the second-order polarization propagator approach SOPPA. },
-	Author = {Ove Christiansen and Henrik Koch and Poul J{\o}rgensen},
-	Date-Added = {2020-01-26 13:24:49 +0100},
-	Date-Modified = {2020-01-26 13:24:49 +0100},
-	Doi = {http://dx.doi.org/10.1016/0009-2614(95)00841-Q},
-	Issn = {0009-2614},
-	Journal = {Chem. Phys. Lett.},
-	Pages = {409--418},
-	Title = {The Second-Order Approximate Coupled Cluster Singles and Doubles Model CC2},
-	Url = {http://www.sciencedirect.com/science/article/pii/000926149500841Q},
-	Volume = {243},
-	Year = {1995},
+	abstract = {An approximate coupled cluster singles and doubles model is presented, denoted CC2. The \{CC2\} total energy is of second-order M{\o}ller-Plesset perturbation theory (MP2) quality. The \{CC2\} linear response function is derived. Unlike MP2, excitation energies and transition moments can be obtained in CC2. A hierarchy of coupled cluster models, CCS, CC2, CCSD, CC3, \{CCSDT\} etc., is presented where \{CC2\} and \{CC3\} are approximate coupled cluster models defined by similar approximations. Higher levels give increased accuracy at increased computational effort. The scaling of CCS, CC2, CCSD, \{CC3\} and \{CCSDT\} is N4, N5, N6, \{N7\} and N8, respectively where N is th the number of orbitals. Calculations on Be, \{N2\} and \{C2H4\} are performed and results compared with those obtained in the second-order polarization propagator approach SOPPA. },
+	author = {Ove Christiansen and Henrik Koch and Poul J{\o}rgensen},
+	date-added = {2020-01-26 13:24:49 +0100},
+	date-modified = {2020-01-26 13:24:49 +0100},
+	doi = {http://dx.doi.org/10.1016/0009-2614(95)00841-Q},
+	issn = {0009-2614},
+	journal = {Chem. Phys. Lett.},
+	pages = {409--418},
+	title = {The Second-Order Approximate Coupled Cluster Singles and Doubles Model CC2},
+	url = {http://www.sciencedirect.com/science/article/pii/000926149500841Q},
+	volume = {243},
+	year = {1995},
 	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/000926149500841Q},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1016/0009-2614(95)00841-Q}}
 
 @article{Furche_2005,
-	Author = {Filipp Furche and Troy {Van Voorhis}},
-	Date-Added = {2020-01-26 11:09:36 +0100},
-	Date-Modified = {2020-02-05 20:54:14 +0100},
-	Doi = {10.1063/1.1884112},
-	Journal = {J. Chem. Phys.},
-	Pages = {164106},
-	Title = {Fluctuation-Dissipation Theorem Density-Functional Theory},
-	Volume = {122},
-	Year = {2005},
+	author = {Filipp Furche and Troy {Van Voorhis}},
+	date-added = {2020-01-26 11:09:36 +0100},
+	date-modified = {2020-02-05 20:54:14 +0100},
+	doi = {10.1063/1.1884112},
+	journal = {J. Chem. Phys.},
+	pages = {164106},
+	title = {Fluctuation-Dissipation Theorem Density-Functional Theory},
+	volume = {122},
+	year = {2005},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1884112}}
 
 @article{Toulouse_2009,
-	Author = {Julien Toulouse and Iann C. Gerber and Georg Jansen and Andreas Savin and Janos G. Angyan},
-	Date-Added = {2020-01-26 11:06:08 +0100},
-	Date-Modified = {2020-01-26 11:06:08 +0100},
-	Doi = {10.1103/PhysRevLett.102.096404},
-	Journal = {Phys. Rev. Lett.},
-	Pages = {096404},
-	Title = {Adiabatic-Connection Fluctuation-Dissipation Density-Functional Theory Based on Range Separation},
-	Volume = {102},
-	Year = {2009},
+	author = {Julien Toulouse and Iann C. Gerber and Georg Jansen and Andreas Savin and Janos G. Angyan},
+	date-added = {2020-01-26 11:06:08 +0100},
+	date-modified = {2020-01-26 11:06:08 +0100},
+	doi = {10.1103/PhysRevLett.102.096404},
+	journal = {Phys. Rev. Lett.},
+	pages = {096404},
+	title = {Adiabatic-Connection Fluctuation-Dissipation Density-Functional Theory Based on Range Separation},
+	volume = {102},
+	year = {2009},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.102.096404}}
 
 @article{Toulouse_2010,
-	Author = {Julien Toulouse and Wuming Zhu and Janos G. Angyan and Andreas Savin},
-	Date-Added = {2020-01-26 11:00:55 +0100},
-	Date-Modified = {2020-02-05 21:01:31 +0100},
-	Doi = {10.1103/PhysRevA.82.032502},
-	Journal = {Phys. Rev. A},
-	Pages = {032502},
-	Title = {Range-Separated Density-Functional Theory With the Random-Phase Approximation: Detailed Formalism and Illustrative Applications},
-	Volume = {82},
-	Year = {2010},
+	author = {Julien Toulouse and Wuming Zhu and Janos G. Angyan and Andreas Savin},
+	date-added = {2020-01-26 11:00:55 +0100},
+	date-modified = {2020-02-05 21:01:31 +0100},
+	doi = {10.1103/PhysRevA.82.032502},
+	journal = {Phys. Rev. A},
+	pages = {032502},
+	title = {Range-Separated Density-Functional Theory With the Random-Phase Approximation: Detailed Formalism and Illustrative Applications},
+	volume = {82},
+	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.82.032502}}
 
 @article{Angyan_2011,
-	Author = {J. G. Angyan and R.-F. Liu and J. Toulouse and G. Jansen},
-	Date-Added = {2020-01-25 14:20:51 +0100},
-	Date-Modified = {2020-01-25 14:23:02 +0100},
-	Doi = {10.1021/ct200501r},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {3116--3130},
-	Title = {Correlation Energy Expressions from the Adiabatic-Connection Fluctuation Dissipation Theorem Approach},
-	Volume = {7},
-	Year = {2011},
+	author = {J. G. Angyan and R.-F. Liu and J. Toulouse and G. Jansen},
+	date-added = {2020-01-25 14:20:51 +0100},
+	date-modified = {2020-01-25 14:23:02 +0100},
+	doi = {10.1021/ct200501r},
+	journal = {J. Chem. Theory Comput.},
+	pages = {3116--3130},
+	title = {Correlation Energy Expressions from the Adiabatic-Connection Fluctuation Dissipation Theorem Approach},
+	volume = {7},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct200501r}}
 
 @article{Ghosh_2018,
-	Author = {Ghosh, Soumen and Verma, Pragya and Cramer, Christopher J. and Gagliardi, Laura and Truhlar, Donald G.},
-	Date-Added = {2020-01-07 16:02:08 +0100},
-	Date-Modified = {2020-01-07 22:18:36 +0100},
-	Doi = {10.1021/acs.chemrev.8b00193},
-	Journal = {Chem. Rev.},
-	Number = {15},
-	Pages = {7249--7292},
-	Title = {Combining Wave Function Methods with Density Functional Theory for Excited States},
-	Volume = {118},
-	Year = {2018},
+	author = {Ghosh, Soumen and Verma, Pragya and Cramer, Christopher J. and Gagliardi, Laura and Truhlar, Donald G.},
+	date-added = {2020-01-07 16:02:08 +0100},
+	date-modified = {2020-01-07 22:18:36 +0100},
+	doi = {10.1021/acs.chemrev.8b00193},
+	journal = {Chem. Rev.},
+	number = {15},
+	pages = {7249--7292},
+	title = {Combining Wave Function Methods with Density Functional Theory for Excited States},
+	volume = {118},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.chemrev.8b00193}}
 
 @incollection{Grimme_2004a,
-	Author = {Stefan Grimme},
-	Booktitle = {Reviews in Computational Chemistry},
-	Chapter = {3},
-	Date-Added = {2020-01-07 15:58:53 +0100},
-	Date-Modified = {2020-01-07 16:01:07 +0100},
-	Editor = {Kenny B. Lipkowitz and Raima Larter and Thomas R. Cundari},
-	Pages = {153--218},
-	Publisher = {{John Wiley \& Sons, Inc.}},
-	Title = {Calculation of the Electronic Spectra of Large Molecules},
-	Volume = {20},
-	Year = {2004}}
+	author = {Stefan Grimme},
+	booktitle = {Reviews in Computational Chemistry},
+	chapter = {3},
+	date-added = {2020-01-07 15:58:53 +0100},
+	date-modified = {2020-01-07 16:01:07 +0100},
+	editor = {Kenny B. Lipkowitz and Raima Larter and Thomas R. Cundari},
+	pages = {153--218},
+	publisher = {{John Wiley \& Sons, Inc.}},
+	title = {Calculation of the Electronic Spectra of Large Molecules},
+	volume = {20},
+	year = {2004}}
 
 @article{Gonzales_2012,
-	Author = {Gonz{\'a}lez, Leticia and Escudero, D. and Serrano-Andr\`es, L.},
-	Date-Added = {2020-01-07 15:55:40 +0100},
-	Date-Modified = {2020-01-07 22:18:05 +0100},
-	Doi = {10.1002/cphc.201100200},
-	Journal = {ChemPhysChem},
-	Pages = {28--51},
-	Title = {Progress and Challenges in the Calculation of Electronic Excited States},
-	Volume = {13},
-	Year = {2012},
+	author = {Gonz{\'a}lez, Leticia and Escudero, D. and Serrano-Andr\`es, L.},
+	date-added = {2020-01-07 15:55:40 +0100},
+	date-modified = {2020-01-07 22:18:05 +0100},
+	doi = {10.1002/cphc.201100200},
+	journal = {ChemPhysChem},
+	pages = {28--51},
+	title = {Progress and Challenges in the Calculation of Electronic Excited States},
+	volume = {13},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1002/cphc.201100200}}
 
 @article{Holzer_2018,
-	Author = {Christof Holzer and Xin Gui and Michael E. Harding and Georg Kresse and Trygve Helgaker and Wim Klopper},
-	Date-Added = {2020-01-04 20:49:55 +0100},
-	Date-Modified = {2020-02-05 20:58:26 +0100},
-	Doi = {10.1063/1.5047030},
-	Journal = {J. Chem. Phys.},
-	Pages = {144106},
-	Title = {Bethe--Salpeter Correlation Energies of Atoms and Molecules},
-	Volume = {149},
-	Year = {2018},
+	author = {Christof Holzer and Xin Gui and Michael E. Harding and Georg Kresse and Trygve Helgaker and Wim Klopper},
+	date-added = {2020-01-04 20:49:55 +0100},
+	date-modified = {2020-02-05 20:58:26 +0100},
+	doi = {10.1063/1.5047030},
+	journal = {J. Chem. Phys.},
+	pages = {144106},
+	title = {Bethe--Salpeter Correlation Energies of Atoms and Molecules},
+	volume = {149},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.5047030}}
 
 @article{Olsen_2014,
-	Author = {T. Olsen and K. S. Thygesen},
-	Date-Added = {2020-01-04 20:48:50 +0100},
-	Date-Modified = {2020-02-05 20:58:06 +0100},
-	Doi = {10.1063/1.4871875},
-	Journal = {J. Chem. Phys.},
-	Pages = {164116},
-	Title = {Static Correlation Beyond the Random Phase Approximation: Dissociating H2 With the Bethe-Salpeter Equation and Time-Dependent GW},
-	Volume = {140},
-	Year = {2014},
+	author = {T. Olsen and K. S. Thygesen},
+	date-added = {2020-01-04 20:48:50 +0100},
+	date-modified = {2020-02-05 20:58:06 +0100},
+	doi = {10.1063/1.4871875},
+	journal = {J. Chem. Phys.},
+	pages = {164116},
+	title = {Static Correlation Beyond the Random Phase Approximation: Dissociating H2 With the Bethe-Salpeter Equation and Time-Dependent GW},
+	volume = {140},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4871875}}
 
 @book{Schuck_Book,
-	Author = {P. Ring and P. Schuck},
-	Date-Added = {2020-01-04 20:15:01 +0100},
-	Date-Modified = {2020-01-04 20:16:49 +0100},
-	Publisher = {Springer},
-	Title = {The Nuclear Many-Body Problem},
-	Year = {2004}}
+	author = {P. Ring and P. Schuck},
+	date-added = {2020-01-04 20:15:01 +0100},
+	date-modified = {2020-01-04 20:16:49 +0100},
+	publisher = {Springer},
+	title = {The Nuclear Many-Body Problem},
+	year = {2004}}
 
 @article{Fukuta_1964,
-	Author = {N. Fukuta and F. Iwamoto and K. Sawada},
-	Date-Added = {2020-01-04 20:13:22 +0100},
-	Date-Modified = {2020-01-07 18:13:24 +0100},
-	Doi = {10.1103/PhysRev.135.A932},
-	Journal = {Phys. Rev.},
-	Pages = {A932},
-	Title = {Linearized Many-Body Problem},
-	Volume = {135},
-	Year = {1964},
+	author = {N. Fukuta and F. Iwamoto and K. Sawada},
+	date-added = {2020-01-04 20:13:22 +0100},
+	date-modified = {2020-01-07 18:13:24 +0100},
+	doi = {10.1103/PhysRev.135.A932},
+	journal = {Phys. Rev.},
+	pages = {A932},
+	title = {Linearized Many-Body Problem},
+	volume = {135},
+	year = {1964},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRev.135.A932}}
 
 @article{Salpeter_1951,
-	Author = {E. E. Salpeter and H. A. Bethe},
-	Date-Added = {2020-01-04 19:53:01 +0100},
-	Date-Modified = {2020-01-04 19:53:59 +0100},
-	Doi = {10.1103/PhysRev.84.1232},
-	Journal = {Phys. Rev.},
-	Pages = {1232},
-	Title = {A Relativistic Equation for Bound-State Problems},
-	Volume = {84},
-	Year = {1951},
+	author = {E. E. Salpeter and H. A. Bethe},
+	date-added = {2020-01-04 19:53:01 +0100},
+	date-modified = {2020-01-04 19:53:59 +0100},
+	doi = {10.1103/PhysRev.84.1232},
+	journal = {Phys. Rev.},
+	pages = {1232},
+	title = {A Relativistic Equation for Bound-State Problems},
+	volume = {84},
+	year = {1951},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRev.84.1232}}
 
 @incollection{Rebolini_2013,
-	Author = {E. Rebolini and J. Toulouse and A. Savin},
-	Booktitle = {Electronic Structure and Reactivity},
-	Date-Added = {2020-01-04 19:34:17 +0100},
-	Date-Modified = {2020-01-04 19:34:24 +0100},
-	Editor = {S. K. Ghosh and P. K. Chattaraj},
-	Note = {preprint at http://arxiv.org/abs/1304.1314},
-	Pages = {367-390},
-	Publisher = {CRC Press},
-	Series = {Concepts and Methods in Modern Theoretical Chemistry Vol. 1},
-	Title = {Electronic excitation energies of molecular systems from the Bethe-Salpeter equation: Example of the H$_2$ molecule},
-	Year = {2013}}
+	author = {E. Rebolini and J. Toulouse and A. Savin},
+	booktitle = {Electronic Structure and Reactivity},
+	date-added = {2020-01-04 19:34:17 +0100},
+	date-modified = {2020-01-04 19:34:24 +0100},
+	editor = {S. K. Ghosh and P. K. Chattaraj},
+	note = {preprint at http://arxiv.org/abs/1304.1314},
+	pages = {367-390},
+	publisher = {CRC Press},
+	series = {Concepts and Methods in Modern Theoretical Chemistry Vol. 1},
+	title = {Electronic excitation energies of molecular systems from the Bethe-Salpeter equation: Example of the H$_2$ molecule},
+	year = {2013}}
 
 @article{Strinati_1982,
-	Author = {G. Strinati},
-	Date-Added = {2020-01-03 21:01:54 +0100},
-	Date-Modified = {2020-01-03 21:02:37 +0100},
-	Doi = {10.1103/PhysRevLett.49.1519},
-	Journal = {Phys. Rev. Lett.},
-	Pages = {1519},
-	Title = {Dynamical Shift and Broadening of Core Excitons in Semiconductors},
-	Volume = {49},
-	Year = {1982},
+	author = {G. Strinati},
+	date-added = {2020-01-03 21:01:54 +0100},
+	date-modified = {2020-01-03 21:02:37 +0100},
+	doi = {10.1103/PhysRevLett.49.1519},
+	journal = {Phys. Rev. Lett.},
+	pages = {1519},
+	title = {Dynamical Shift and Broadening of Core Excitons in Semiconductors},
+	volume = {49},
+	year = {1982},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.49.1519}}
 
 @article{Strinati_1984,
-	Author = {G. Strinati},
-	Date-Added = {2020-01-03 21:00:09 +0100},
-	Date-Modified = {2020-02-05 21:06:03 +0100},
-	Doi = {10.1103/PhysRevB.29.5718},
-	Journal = {Phys. Rev. B},
-	Pages = {5718},
-	Title = {Effects of Dynamical Screening on Resonances at Inner-Shell Thresholds in Semiconductors},
-	Volume = {29},
-	Year = {1984},
+	author = {G. Strinati},
+	date-added = {2020-01-03 21:00:09 +0100},
+	date-modified = {2020-02-05 21:06:03 +0100},
+	doi = {10.1103/PhysRevB.29.5718},
+	journal = {Phys. Rev. B},
+	pages = {5718},
+	title = {Effects of Dynamical Screening on Resonances at Inner-Shell Thresholds in Semiconductors},
+	volume = {29},
+	year = {1984},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.29.5718}}
 
 @article{Loos_2019b,
-	Author = {Loos, Pierre-Francois and Jacquemin, Denis},
-	Date-Added = {2020-01-03 20:54:57 +0100},
-	Date-Modified = {2020-01-07 22:19:19 +0100},
-	Doi = {10.1002/cptc.201900070},
-	Journal = {ChemPhotoChem},
-	Pages = {684--696},
-	Title = {Evaluating 0-0 Energies with Theoretical Tools: a Short Review},
-	Volume = {3},
-	Year = {2019},
+	author = {Loos, Pierre-Francois and Jacquemin, Denis},
+	date-added = {2020-01-03 20:54:57 +0100},
+	date-modified = {2020-01-07 22:19:19 +0100},
+	doi = {10.1002/cptc.201900070},
+	journal = {ChemPhotoChem},
+	pages = {684--696},
+	title = {Evaluating 0-0 Energies with Theoretical Tools: a Short Review},
+	volume = {3},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.1002/cptc.201900070}}
 
 @article{Furche_2002,
-	Author = {F. Furche and R. Ahlrichs},
-	Date-Added = {2020-01-03 20:51:01 +0100},
-	Date-Modified = {2020-02-05 20:54:38 +0100},
-	Doi = {10.1063/1.1508368},
-	Journal = {J. Chem. Phys.},
-	Pages = {7433},
-	Title = {Adiabatic Time-Dependent Density Functional Methods for Excited State Properties},
-	Volume = {117},
-	Year = {2002},
+	author = {F. Furche and R. Ahlrichs},
+	date-added = {2020-01-03 20:51:01 +0100},
+	date-modified = {2020-02-05 20:54:38 +0100},
+	doi = {10.1063/1.1508368},
+	journal = {J. Chem. Phys.},
+	pages = {7433},
+	title = {Adiabatic Time-Dependent Density Functional Methods for Excited State Properties},
+	volume = {117},
+	year = {2002},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1508368}}
 
 @article{Roca-Sanjuan_2011,
-	Author = {Daniel {Roca-Sanjuan} and Mickael G. Delcey and Isabelle Navizet and Nicolas Ferre and Ya-Jun Liu and Roland Lindh},
-	Date-Added = {2020-01-03 20:42:01 +0100},
-	Date-Modified = {2020-01-03 20:43:41 +0100},
-	Doi = {10.1021/ct2004758},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {4060--4069},
-	Title = {Chemiluminescence and Fluorescence States of a Small Model for Coelenteramide and Cypridina Oxyluciferin: A CASSCF/CASPT2 Study},
-	Volume = {7},
-	Year = {2011},
+	author = {Daniel {Roca-Sanjuan} and Mickael G. Delcey and Isabelle Navizet and Nicolas Ferre and Ya-Jun Liu and Roland Lindh},
+	date-added = {2020-01-03 20:42:01 +0100},
+	date-modified = {2020-01-03 20:43:41 +0100},
+	doi = {10.1021/ct2004758},
+	journal = {J. Chem. Theory Comput.},
+	pages = {4060--4069},
+	title = {Chemiluminescence and Fluorescence States of a Small Model for Coelenteramide and Cypridina Oxyluciferin: A CASSCF/CASPT2 Study},
+	volume = {7},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct2004758}}
 
 @article{Navizet_2011,
-	Author = {Isabelle Navizet and Ya-Jun Liu and Nicolas Ferre and Daniel {Roca-Sanjun} and Roland Lindh},
-	Date-Added = {2020-01-03 20:37:10 +0100},
-	Date-Modified = {2020-01-03 20:38:29 +0100},
-	Doi = {10.1002/cphc.201100504},
-	Journal = {ChemPhysChem},
-	Pages = {3064--3076},
-	Title = {The Chemistry of Bioluminescence: An Analysis of Chemical Functionalities},
-	Volume = {12},
-	Year = {2011},
+	author = {Isabelle Navizet and Ya-Jun Liu and Nicolas Ferre and Daniel {Roca-Sanjun} and Roland Lindh},
+	date-added = {2020-01-03 20:37:10 +0100},
+	date-modified = {2020-01-03 20:38:29 +0100},
+	doi = {10.1002/cphc.201100504},
+	journal = {ChemPhysChem},
+	pages = {3064--3076},
+	title = {The Chemistry of Bioluminescence: An Analysis of Chemical Functionalities},
+	volume = {12},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1002/cphc.201100504}}
 
 @article{Gell-Mann_1957,
-	Author = {Gell-Mann, Murray and Brueckner, Keith A.},
-	Date-Added = {2020-01-03 12:00:38 +0100},
-	Date-Modified = {2020-01-03 12:00:43 +0100},
-	Doi = {10.1103/PhysRev.106.364},
-	Journal = {Phys. Rev.},
-	Number = {2},
-	Numpages = {4},
-	Pages = {364--368},
-	Publisher = {American Physical Society},
-	Title = {Correlation Energy of an Electron Gas at High Density},
-	Volume = {106},
-	Year = {1957},
+	author = {Gell-Mann, Murray and Brueckner, Keith A.},
+	date-added = {2020-01-03 12:00:38 +0100},
+	date-modified = {2020-01-03 12:00:43 +0100},
+	doi = {10.1103/PhysRev.106.364},
+	journal = {Phys. Rev.},
+	number = {2},
+	numpages = {4},
+	pages = {364--368},
+	publisher = {American Physical Society},
+	title = {Correlation Energy of an Electron Gas at High Density},
+	volume = {106},
+	year = {1957},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRev.106.364}}
 
 @article{Sawada_1957a,
-	Author = {Sawada, Katuro},
-	Date-Added = {2020-01-03 12:00:20 +0100},
-	Date-Modified = {2020-01-03 12:00:29 +0100},
-	Doi = {10.1103/PhysRev.106.372},
-	Journal = {Phys. Rev.},
-	Month = {Apr},
-	Number = {2},
-	Numpages = {11},
-	Pages = {372--383},
-	Publisher = {American Physical Society},
-	Title = {Correlation Energy of an Electron Gas at High Density},
-	Volume = {106},
-	Year = {1957},
+	author = {Sawada, Katuro},
+	date-added = {2020-01-03 12:00:20 +0100},
+	date-modified = {2020-01-03 12:00:29 +0100},
+	doi = {10.1103/PhysRev.106.372},
+	journal = {Phys. Rev.},
+	month = {Apr},
+	number = {2},
+	numpages = {11},
+	pages = {372--383},
+	publisher = {American Physical Society},
+	title = {Correlation Energy of an Electron Gas at High Density},
+	volume = {106},
+	year = {1957},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRev.106.372}}
 
 @article{Sawada_1957b,
-	Author = {Sawada, K. and Brueckner, K. A. and Fukuda, N. and Brout, R.},
-	Date-Added = {2020-01-03 12:00:20 +0100},
-	Date-Modified = {2020-01-03 12:00:25 +0100},
-	Doi = {10.1103/PhysRev.108.507},
-	Journal = {Phys. Rev.},
-	Month = {Nov},
-	Number = {3},
-	Numpages = {7},
-	Pages = {507--514},
-	Publisher = {American Physical Society},
-	Title = {Correlation Energy of an Electron Gas at High Density: Plasma Oscillations},
-	Volume = {108},
-	Year = {1957},
+	author = {Sawada, K. and Brueckner, K. A. and Fukuda, N. and Brout, R.},
+	date-added = {2020-01-03 12:00:20 +0100},
+	date-modified = {2020-01-03 12:00:25 +0100},
+	doi = {10.1103/PhysRev.108.507},
+	journal = {Phys. Rev.},
+	month = {Nov},
+	number = {3},
+	numpages = {7},
+	pages = {507--514},
+	publisher = {American Physical Society},
+	title = {Correlation Energy of an Electron Gas at High Density: Plasma Oscillations},
+	volume = {108},
+	year = {1957},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRev.108.507}}
 
 @book{Martin_2016,
-	Author = {Richard M. Martin and Lucia Reining and David M. Ceperley},
-	Date-Added = {2020-01-03 11:57:37 +0100},
-	Date-Modified = {2020-01-03 11:57:37 +0100},
-	Publisher = {Cambridge University Press},
-	Title = {Interacting Electrons: Theory and Computational Approaches},
-	Year = {2016}}
+	author = {Richard M. Martin and Lucia Reining and David M. Ceperley},
+	date-added = {2020-01-03 11:57:37 +0100},
+	date-modified = {2020-01-03 11:57:37 +0100},
+	publisher = {Cambridge University Press},
+	title = {Interacting Electrons: Theory and Computational Approaches},
+	year = {2016}}
 
 @article{Abrams_2005,
-	Author = {Abrams, Micah L. and Sherrill, C. David},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1016/j.cplett.2005.06.107},
-	Issn = {0009-2614},
-	Journal = {Chem. Phys. Lett.},
-	Month = {Aug},
-	Number = {1-3},
-	Pages = {121--124},
-	Publisher = {Elsevier BV},
-	Title = {Important configurations in configuration interaction and coupled-cluster wave functions},
-	Url = {http://dx.doi.org/10.1016/j.cplett.2005.06.107},
-	Volume = {412},
-	Year = {2005},
+	author = {Abrams, Micah L. and Sherrill, C. David},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1016/j.cplett.2005.06.107},
+	issn = {0009-2614},
+	journal = {Chem. Phys. Lett.},
+	month = {Aug},
+	number = {1-3},
+	pages = {121--124},
+	publisher = {Elsevier BV},
+	title = {Important configurations in configuration interaction and coupled-cluster wave functions},
+	url = {http://dx.doi.org/10.1016/j.cplett.2005.06.107},
+	volume = {412},
+	year = {2005},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1016/j.cplett.2005.06.107}}
 
 @article{Agboola_2015,
-	Author = {Agboola, Davids and Knol, Anneke L. and Gill, Peter M. W. and Loos, Pierre-Fran{\c c}ois},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.4929353},
-	File = {/Users/loos/Zotero/storage/YFD785CA/46.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = aug,
-	Number = {8},
-	Pages = {084114},
-	Title = {Uniform Electron Gases. {{III}}. {{Low}}-Density Gases on Three-Dimensional Spheres},
-	Volume = {143},
-	Year = {2015},
+	author = {Agboola, Davids and Knol, Anneke L. and Gill, Peter M. W. and Loos, Pierre-Fran{\c c}ois},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.4929353},
+	file = {/Users/loos/Zotero/storage/YFD785CA/46.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = aug,
+	number = {8},
+	pages = {084114},
+	title = {Uniform Electron Gases. {{III}}. {{Low}}-Density Gases on Three-Dimensional Spheres},
+	volume = {143},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4929353}}
 
 @article{Alam_2016,
-	Author = {Alam, Md. Mehboob and Knecht, Stefan and Fromager, Emmanuel},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1103/PhysRevA.94.012511},
-	File = {/Users/loos/Zotero/storage/33GM5I2K/Alam et al. - 2016 - Ghost-interaction correction in ensemble density-f.pdf},
-	Issn = {2469-9926, 2469-9934},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = jul,
-	Number = {1},
-	Pages = {012511},
-	Title = {Ghost-Interaction Correction in Ensemble Density-Functional Theory for Excited States with and without Range Separation},
-	Volume = {94},
-	Year = {2016},
+	author = {Alam, Md. Mehboob and Knecht, Stefan and Fromager, Emmanuel},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1103/PhysRevA.94.012511},
+	file = {/Users/loos/Zotero/storage/33GM5I2K/Alam et al. - 2016 - Ghost-interaction correction in ensemble density-f.pdf},
+	issn = {2469-9926, 2469-9934},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = jul,
+	number = {1},
+	pages = {012511},
+	title = {Ghost-Interaction Correction in Ensemble Density-Functional Theory for Excited States with and without Range Separation},
+	volume = {94},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.94.012511}}
 
 @article{Alam_2017,
-	Author = {Alam, Md. Mehboob and Deur, Killian and Knecht, Stefan and Fromager, Emmanuel},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.4999825},
-	File = {/Users/loos/Zotero/storage/88W42T88/Alam et al. - 2017 - Combining extrapolation with ghost interaction cor.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = nov,
-	Number = {20},
-	Pages = {204105},
-	Title = {Combining Extrapolation with Ghost Interaction Correction in Range-Separated Ensemble Density Functional Theory for Excited States},
-	Volume = {147},
-	Year = {2017},
+	author = {Alam, Md. Mehboob and Deur, Killian and Knecht, Stefan and Fromager, Emmanuel},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.4999825},
+	file = {/Users/loos/Zotero/storage/88W42T88/Alam et al. - 2017 - Combining extrapolation with ghost interaction cor.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = nov,
+	number = {20},
+	pages = {204105},
+	title = {Combining Extrapolation with Ghost Interaction Correction in Range-Separated Ensemble Density Functional Theory for Excited States},
+	volume = {147},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4999825}}
 
 @article{Angeli_2001a,
-	Author = {Angeli, Celestino and Cimiraglia, Renzo and Malrieu, Jean-Paul},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1016/S0009-2614(01)01303-3},
-	Issn = {00092614},
-	Journal = {Chem. Phys. Lett.},
-	Language = {en},
-	Month = dec,
-	Number = {3-4},
-	Pages = {297-305},
-	Shorttitle = {N-Electron Valence State Perturbation Theory},
-	Title = {N-Electron Valence State Perturbation Theory: A Fast Implementation of the Strongly Contracted Variant},
-	Volume = {350},
-	Year = {2001},
+	author = {Angeli, Celestino and Cimiraglia, Renzo and Malrieu, Jean-Paul},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1016/S0009-2614(01)01303-3},
+	issn = {00092614},
+	journal = {Chem. Phys. Lett.},
+	language = {en},
+	month = dec,
+	number = {3-4},
+	pages = {297-305},
+	shorttitle = {N-Electron Valence State Perturbation Theory},
+	title = {N-Electron Valence State Perturbation Theory: A Fast Implementation of the Strongly Contracted Variant},
+	volume = {350},
+	year = {2001},
 	Bdsk-Url-1 = {https://doi.org/10.1016/S0009-2614(01)01303-3}}
 
 @article{Angeli_2001b,
-	Author = {Angeli, C. and Cimiraglia, R. and Evangelisti, S. and Leininger, T. and Malrieu, J.-P.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.1361246},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = jun,
-	Number = {23},
-	Pages = {10252-10264},
-	Title = {Introduction of {\emph{n}} -Electron Valence States for Multireference Perturbation Theory},
-	Volume = {114},
-	Year = {2001},
+	author = {Angeli, C. and Cimiraglia, R. and Evangelisti, S. and Leininger, T. and Malrieu, J.-P.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.1361246},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = jun,
+	number = {23},
+	pages = {10252-10264},
+	title = {Introduction of {\emph{n}} -Electron Valence States for Multireference Perturbation Theory},
+	volume = {114},
+	year = {2001},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1361246}}
 
 @article{Angeli_2002,
-	Author = {Angeli, Celestino and Cimiraglia, Renzo and Malrieu, Jean-Paul},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.1515317},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = nov,
-	Number = {20},
-	Pages = {9138-9153},
-	Shorttitle = {{\emph{N}} -Electron Valence State Perturbation Theory},
-	Title = {{\emph{N}} -Electron Valence State Perturbation Theory: {{A}} Spinless Formulation and an Efficient Implementation of the Strongly Contracted and of the Partially Contracted Variants},
-	Volume = {117},
-	Year = {2002},
+	author = {Angeli, Celestino and Cimiraglia, Renzo and Malrieu, Jean-Paul},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.1515317},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = nov,
+	number = {20},
+	pages = {9138-9153},
+	shorttitle = {{\emph{N}} -Electron Valence State Perturbation Theory},
+	title = {{\emph{N}} -Electron Valence State Perturbation Theory: {{A}} Spinless Formulation and an Efficient Implementation of the Strongly Contracted and of the Partially Contracted Variants},
+	volume = {117},
+	year = {2002},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1515317}}
 
 @article{Angeli_2008,
-	Author = {C. Angeli},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Journal = {J. Comput. Chem.},
-	Pages = {1319--1333},
-	Title = {On the Nature of the π → π∗ Ionic Excited States: The V State of Ethene as a Prototype},
-	Volume = {30},
-	Year = {2008}}
+	author = {C. Angeli},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	journal = {J. Comput. Chem.},
+	pages = {1319--1333},
+	title = {On the Nature of the π → π∗ Ionic Excited States: The V State of Ethene as a Prototype},
+	volume = {30},
+	year = {2008}}
 
 @article{Angeli_2009,
-	Author = {Angeli, C. and Cimiraglia, Renzo and Cestarri, M.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Journal = {Theor. Chem. Acc.},
-	Pages = {287--298},
-	Title = {A multireference n-electron Valence State Perturbation Theory study of the electronic spectrum of s-tetrazine},
-	Volume = {123},
-	Year = {2009}}
+	author = {Angeli, C. and Cimiraglia, Renzo and Cestarri, M.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	journal = {Theor. Chem. Acc.},
+	pages = {287--298},
+	title = {A multireference n-electron Valence State Perturbation Theory study of the electronic spectrum of s-tetrazine},
+	volume = {123},
+	year = {2009}}
 
 @article{Angeli_2010,
-	Author = {Angeli, Celestino},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1002/qua.22597},
-	Issn = {00207608, 1097461X},
-	Journal = {Int. J. Quantum Chem.},
-	Language = {en},
-	Pages = {NA-NA},
-	Title = {An Analysis of the Dynamic $\sigma$ Polarization in the {{V}} State of Ethene},
-	Year = {2010},
+	author = {Angeli, Celestino},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1002/qua.22597},
+	issn = {00207608, 1097461X},
+	journal = {Int. J. Quantum Chem.},
+	language = {en},
+	pages = {NA-NA},
+	title = {An Analysis of the Dynamic $\sigma$ Polarization in the {{V}} State of Ethene},
+	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1002/qua.22597}}
 
 @article{Applencourt_2014,
-	Author = {Peter Belohorec and Stuart M. Rothstein and Jan Vrbik},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.464838},
-	Journal = {J. Chem. Phys.},
-	Number = {8},
-	Pages = {6401-6405},
-	Title = {Infinitesimal differential diffusion quantum Monte Carlo study of CuH spectroscopic constants},
-	Url = {https://doi.org/10.1063/1.464838},
-	Volume = {98},
-	Year = {1993},
+	author = {Peter Belohorec and Stuart M. Rothstein and Jan Vrbik},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.464838},
+	journal = {J. Chem. Phys.},
+	number = {8},
+	pages = {6401-6405},
+	title = {Infinitesimal differential diffusion quantum Monte Carlo study of CuH spectroscopic constants},
+	url = {https://doi.org/10.1063/1.464838},
+	volume = {98},
+	year = {1993},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.464838},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.464838}}
 
 @article{Aquilante_2003,
-	Author = {Aquilante, Francesco and Barone, Vincenzo and Roos, Bj\"orn O.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.1625363},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = dec,
-	Number = {23},
-	Pages = {12323-12334},
-	Title = {A Theoretical Investigation of Valence and {{Rydberg}} Electronic States of Acrolein},
-	Volume = {119},
-	Year = {2003},
+	author = {Aquilante, Francesco and Barone, Vincenzo and Roos, Bj\"orn O.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.1625363},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = dec,
+	number = {23},
+	pages = {12323-12334},
+	title = {A Theoretical Investigation of Valence and {{Rydberg}} Electronic States of Acrolein},
+	volume = {119},
+	year = {2003},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1625363}}
 
 @article{Arenas_2006,
-	Author = {Arenas, Juan F. and Otero, Juan C. and Pel{\'a}ez, Daniel and Soto, Juan},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1021/jo051897r},
-	Eprint = {http://dx.doi.org/10.1021/jo051897r},
-	Journal = {J. Org. Chem.},
-	Number = {3},
-	Pages = {983--991},
-	Title = {CASPT2 Study of the Decomposition of Nitrosomethane and Its Tautomerization Reactions in the Ground and Low-Lying Excited States},
-	Url = {http://dx.doi.org/10.1021/jo051897r},
-	Volume = {71},
-	Year = {2006},
+	author = {Arenas, Juan F. and Otero, Juan C. and Pel{\'a}ez, Daniel and Soto, Juan},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1021/jo051897r},
+	eprint = {http://dx.doi.org/10.1021/jo051897r},
+	journal = {J. Org. Chem.},
+	number = {3},
+	pages = {983--991},
+	title = {CASPT2 Study of the Decomposition of Nitrosomethane and Its Tautomerization Reactions in the Ground and Low-Lying Excited States},
+	url = {http://dx.doi.org/10.1021/jo051897r},
+	volume = {71},
+	year = {2006},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1021/jo051897r}}
 
 @article{arxiv,
-	Author = {Michel Caffarel and Thomas Applencourt and Emmanuel Giner and Anthony Scemama},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1021/bk-2016-1234.ch002},
-	Eprint = {arXiv:1607.06742},
-	Title = {Using CIPSI nodes in diffusion Monte Carlo},
-	Year = {2016},
+	author = {Michel Caffarel and Thomas Applencourt and Emmanuel Giner and Anthony Scemama},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1021/bk-2016-1234.ch002},
+	eprint = {arXiv:1607.06742},
+	title = {Using CIPSI nodes in diffusion Monte Carlo},
+	year = {2016},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1021/bk-2016-1234.ch002}}
 
 @article{Aspuru-Guzik_2004,
-	Author = {Aspuru-Guzik, Al{\'a}n and El Akramine, Ouafae and Grossman, Jeffrey C. and Lester, William A.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.1646356},
-	File = {/Users/loos/Zotero/storage/ISSJNVRU/Aspuru-Guzik et al. - 2004 - Quantum Monte Carlo for electronic excitations of .pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = feb,
-	Number = {7},
-	Pages = {3049-3050},
-	Title = {Quantum {{Monte Carlo}} for Electronic Excitations of Free-Base Porphyrin},
-	Volume = {120},
-	Year = {2004},
+	author = {Aspuru-Guzik, Al{\'a}n and El Akramine, Ouafae and Grossman, Jeffrey C. and Lester, William A.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.1646356},
+	file = {/Users/loos/Zotero/storage/ISSJNVRU/Aspuru-Guzik et al. - 2004 - Quantum Monte Carlo for electronic excitations of .pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = feb,
+	number = {7},
+	pages = {3049-3050},
+	title = {Quantum {{Monte Carlo}} for Electronic Excitations of Free-Base Porphyrin},
+	volume = {120},
+	year = {2004},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1646356}}
 
 @article{Assaraf_2000,
-	Author = {Assaraf, Roland and Caffarel, Michel and Khelif, Anatole},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1103/physreve.61.4566},
-	Issn = {1095-3787},
-	Journal = {Phys. Rev. E},
-	Month = {Apr},
-	Number = {4},
-	Pages = {4566--4575},
-	Publisher = {American Physical Society (APS)},
-	Title = {Diffusion Monte Carlo methods with a fixed number of walkers},
-	Url = {http://dx.doi.org/10.1103/PhysRevE.61.4566},
-	Volume = {61},
-	Year = {2000},
+	author = {Assaraf, Roland and Caffarel, Michel and Khelif, Anatole},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1103/physreve.61.4566},
+	issn = {1095-3787},
+	journal = {Phys. Rev. E},
+	month = {Apr},
+	number = {4},
+	pages = {4566--4575},
+	publisher = {American Physical Society (APS)},
+	title = {Diffusion Monte Carlo methods with a fixed number of walkers},
+	url = {http://dx.doi.org/10.1103/PhysRevE.61.4566},
+	volume = {61},
+	year = {2000},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevE.61.4566},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1103/physreve.61.4566}}
 
 @article{Assaraf_2007,
-	Author = {Assaraf, Roland and Caffarel, Michel and Scemama, Anthony},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1103/physreve.75.035701},
-	Issn = {1550-2376},
-	Journal = {Phys. Rev. E},
-	Month = {Mar},
-	Number = {3},
-	Publisher = {American Physical Society (APS)},
-	Title = {Improved Monte Carlo estimators for the one-body density},
-	Url = {http://dx.doi.org/10.1103/PhysRevE.75.035701},
-	Volume = {75},
-	Year = {2007},
+	author = {Assaraf, Roland and Caffarel, Michel and Scemama, Anthony},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1103/physreve.75.035701},
+	issn = {1550-2376},
+	journal = {Phys. Rev. E},
+	month = {Mar},
+	number = {3},
+	publisher = {American Physical Society (APS)},
+	title = {Improved Monte Carlo estimators for the one-body density},
+	url = {http://dx.doi.org/10.1103/PhysRevE.75.035701},
+	volume = {75},
+	year = {2007},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevE.75.035701},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1103/physreve.75.035701}}
 
 @article{Astrakharchik_2011,
-	Author = {G. E. Astrakharchik and M. D. Girardeau},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Journal = {Phys. Rev. B},
-	Pages = {153303},
-	Title = {Exact ground-state properties of a one-dimensional Coulomb gas},
-	Volume = {83},
-	Year = {2011}}
+	author = {G. E. Astrakharchik and M. D. Girardeau},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	journal = {Phys. Rev. B},
+	pages = {153303},
+	title = {Exact ground-state properties of a one-dimensional Coulomb gas},
+	volume = {83},
+	year = {2011}}
 
 @article{Austin_2012,
-	Author = {Austin, Brian M. and Zubarev, Dmitry Yu. and Lester, William A.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1021/cr2001564},
-	Issn = {1520-6890},
-	Journal = {Chem. Rev.},
-	Month = {Jan},
-	Number = {1},
-	Pages = {263--288},
-	Publisher = {American Chemical Society (ACS)},
-	Title = {Quantum Monte Carlo and Related Approaches},
-	Url = {http://dx.doi.org/10.1021/cr2001564},
-	Volume = {112},
-	Year = {2012},
+	author = {Austin, Brian M. and Zubarev, Dmitry Yu. and Lester, William A.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1021/cr2001564},
+	issn = {1520-6890},
+	journal = {Chem. Rev.},
+	month = {Jan},
+	number = {1},
+	pages = {263--288},
+	publisher = {American Chemical Society (ACS)},
+	title = {Quantum Monte Carlo and Related Approaches},
+	url = {http://dx.doi.org/10.1021/cr2001564},
+	volume = {112},
+	year = {2012},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1021/cr2001564}}
 
 @article{Avery_1993,
-	Author = {J. Avery},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1021/j100112a048},
-	Journal = {J. Phys. Chem.},
-	Pages = {2406--2412},
-	Title = {Selected applications of hyperspherical harmonics in quantum theory},
-	Volume = {97},
-	Year = {1993},
+	author = {J. Avery},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1021/j100112a048},
+	journal = {J. Phys. Chem.},
+	pages = {2406--2412},
+	title = {Selected applications of hyperspherical harmonics in quantum theory},
+	volume = {97},
+	year = {1993},
 	Bdsk-Url-1 = {https://doi.org/10.1021/j100112a048}}
 
 @book{AveryBook,
-	Address = {Dordrecht},
-	Author = {J. Avery},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Publisher = {Kluwer Academic},
-	Title = {Hyperspherical harmonics: applications in quantum theory},
-	Year = {1989}}
+	address = {Dordrecht},
+	author = {J. Avery},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	publisher = {Kluwer Academic},
+	title = {Hyperspherical harmonics: applications in quantum theory},
+	year = {1989}}
 
 @article{Ayers_2018,
-	Author = {P. W. Ayers and M. Levy and \'A. Nagy},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1007/s00214-018-2352-7},
-	Journal = {Theor. Chem. Acc.},
-	Pages = {137},
-	Title = {Time‐independent density functional theory for degenerate excited states of Coulomb systems},
-	Year = {2018},
+	author = {P. W. Ayers and M. Levy and \'A. Nagy},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1007/s00214-018-2352-7},
+	journal = {Theor. Chem. Acc.},
+	pages = {137},
+	title = {Time‐independent density functional theory for degenerate excited states of Coulomb systems},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1007/s00214-018-2352-7}}
 
 @article{Bajdich_2005,
-	Author = {M. Bajdich and L. Mitas and G. Drobny and L. K. Wagner},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Journal = {Phys. Rev. B},
-	Pages = {075131},
-	Title = {Approximate and exact nodes of fermionic wavefunctions: Coordinate transformations and topologies},
-	Volume = {72},
-	Year = {2005}}
+	author = {M. Bajdich and L. Mitas and G. Drobny and L. K. Wagner},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	journal = {Phys. Rev. B},
+	pages = {075131},
+	title = {Approximate and exact nodes of fermionic wavefunctions: Coordinate transformations and topologies},
+	volume = {72},
+	year = {2005}}
 
 @article{Ball_2017,
-	Author = {Ball, Caleb J. and Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1039/C6CP06801D},
-	File = {/Users/loos/Zotero/storage/7X5YE6WH/52.pdf},
-	Issn = {1463-9076, 1463-9084},
-	Journal = {Phys. Chem. Chem. Phys.},
-	Language = {en},
-	Number = {5},
-	Pages = {3987-3998},
-	Title = {Molecular Electronic Structure in One-Dimensional {{Coulomb}} Systems},
-	Volume = {19},
-	Year = {2017},
+	author = {Ball, Caleb J. and Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1039/C6CP06801D},
+	file = {/Users/loos/Zotero/storage/7X5YE6WH/52.pdf},
+	issn = {1463-9076, 1463-9084},
+	journal = {Phys. Chem. Chem. Phys.},
+	language = {en},
+	number = {5},
+	pages = {3987-3998},
+	title = {Molecular Electronic Structure in One-Dimensional {{Coulomb}} Systems},
+	volume = {19},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1039/C6CP06801D}}
 
 @article{Bande_2006,
-	Author = {Bande, Annika and L{\"u}chow, Arne and Della Sala, Fabio and G{\"o}rling, Andreas},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.2180773},
-	File = {/Users/loos/Zotero/storage/GVIXPN3P/Bande et al. - 2006 - Rydberg states with quantum Monte Carlo.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = mar,
-	Number = {11},
-	Pages = {114114},
-	Title = {Rydberg States with Quantum {{Monte Carlo}}},
-	Volume = {124},
-	Year = {2006},
+	author = {Bande, Annika and L{\"u}chow, Arne and Della Sala, Fabio and G{\"o}rling, Andreas},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.2180773},
+	file = {/Users/loos/Zotero/storage/GVIXPN3P/Bande et al. - 2006 - Rydberg states with quantum Monte Carlo.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = mar,
+	number = {11},
+	pages = {114114},
+	title = {Rydberg States with Quantum {{Monte Carlo}}},
+	volume = {124},
+	year = {2006},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.2180773}}
 
 @article{Bande_2008,
-	Author = {Bande, Annika and L{\"u}chow, Arne},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1039/b803571g},
-	Issn = {1463-9084},
-	Journal = {Phys. Chem. Chem. Phys.},
-	Number = {23},
-	Pages = {3371},
-	Publisher = {Royal Society of Chemistry (RSC)},
-	Title = {Vanadium oxide compounds with quantum Monte Carlo},
-	Url = {http://dx.doi.org/10.1039/b803571g},
-	Volume = {10},
-	Year = {2008},
+	author = {Bande, Annika and L{\"u}chow, Arne},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1039/b803571g},
+	issn = {1463-9084},
+	journal = {Phys. Chem. Chem. Phys.},
+	number = {23},
+	pages = {3371},
+	publisher = {Royal Society of Chemistry (RSC)},
+	title = {Vanadium oxide compounds with quantum Monte Carlo},
+	url = {http://dx.doi.org/10.1039/b803571g},
+	volume = {10},
+	year = {2008},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1039/b803571g}}
 
 @article{Barca_2018a,
-	Author = {Barca, Giuseppe M. J. and Gilbert, Andrew T. B. and Gill, Peter M. W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1021/acs.jctc.7b00994},
-	File = {/Users/loos/Zotero/storage/TZI6VUVB/Barca et al. - 2018 - Simple Models for Difficult Electronic Excitations.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory. Comput.},
-	Language = {en},
-	Month = mar,
-	Number = {3},
-	Pages = {1501-1509},
-	Title = {Simple {{Models}} for {{Difficult Electronic Excitations}}},
-	Volume = {14},
-	Year = {2018},
+	author = {Barca, Giuseppe M. J. and Gilbert, Andrew T. B. and Gill, Peter M. W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1021/acs.jctc.7b00994},
+	file = {/Users/loos/Zotero/storage/TZI6VUVB/Barca et al. - 2018 - Simple Models for Difficult Electronic Excitations.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory. Comput.},
+	language = {en},
+	month = mar,
+	number = {3},
+	pages = {1501-1509},
+	title = {Simple {{Models}} for {{Difficult Electronic Excitations}}},
+	volume = {14},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b00994}}
 
 @article{Barca_2018b,
-	Author = {Barca, Giuseppe M. J. and Gilbert, Andrew T. B. and Gill, Peter M. W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1021/acs.jctc.7b00963},
-	File = {/Users/loos/Zotero/storage/YB83ST3I/Barca et al. - 2018 - Excitation Number Characterizing Multiply Excited.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory. Comput.},
-	Language = {en},
-	Month = jan,
-	Number = {1},
-	Pages = {9-13},
-	Shorttitle = {Excitation {{Number}}},
-	Title = {Excitation {{Number}}: {{Characterizing Multiply Excited States}}},
-	Volume = {14},
-	Year = {2018},
+	author = {Barca, Giuseppe M. J. and Gilbert, Andrew T. B. and Gill, Peter M. W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1021/acs.jctc.7b00963},
+	file = {/Users/loos/Zotero/storage/YB83ST3I/Barca et al. - 2018 - Excitation Number Characterizing Multiply Excited.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory. Comput.},
+	language = {en},
+	month = jan,
+	number = {1},
+	pages = {9-13},
+	shorttitle = {Excitation {{Number}}},
+	title = {Excitation {{Number}}: {{Characterizing Multiply Excited States}}},
+	volume = {14},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b00963}}
 
 @article{Bauschlicher_1995,
-	Author = {Bauschlicher, Charles W. and Ma\^{i}tre, Philippe},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1007/s002140050068},
-	Issn = {0040-5744},
-	Journal = {Theor. Chem. Acc.},
-	Number = {2},
-	Pages = {189},
-	Publisher = {Springer Nature},
-	Title = {Theoretical study of the first transition row oxides and sulfides},
-	Url = {http://dx.doi.org/10.1007/s002140050068},
-	Volume = {90},
-	Year = {1995},
+	author = {Bauschlicher, Charles W. and Ma\^{i}tre, Philippe},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1007/s002140050068},
+	issn = {0040-5744},
+	journal = {Theor. Chem. Acc.},
+	number = {2},
+	pages = {189},
+	publisher = {Springer Nature},
+	title = {Theoretical study of the first transition row oxides and sulfides},
+	url = {http://dx.doi.org/10.1007/s002140050068},
+	volume = {90},
+	year = {1995},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1007/s002140050068}}
 
 @article{Belohorec_93,
-	Author = {Peter Belohorec and Stuart M. Rothstein and Jan Vrbik},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.464838},
-	Journal = {J. Chem. Phys.},
-	Number = {8},
-	Pages = {6401-6405},
-	Title = {Infinitesimal differential diffusion quantum Monte Carlo study of CuH spectroscopic constants},
-	Url = {https://doi.org/10.1063/1.464838},
-	Volume = {98},
-	Year = {1993},
+	author = {Peter Belohorec and Stuart M. Rothstein and Jan Vrbik},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.464838},
+	journal = {J. Chem. Phys.},
+	number = {8},
+	pages = {6401-6405},
+	title = {Infinitesimal differential diffusion quantum Monte Carlo study of CuH spectroscopic constants},
+	url = {https://doi.org/10.1063/1.464838},
+	volume = {98},
+	year = {1993},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.464838},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.464838}}
 
 @article{Bender_1969,
-	Author = {Bender, Charles F. and Davidson, Ernest R.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1103/physrev.183.23},
-	Issn = {0031-899X},
-	Journal = {Phys. Rev.},
-	Month = {Jul},
-	Number = {1},
-	Pages = {23--30},
-	Publisher = {American Physical Society (APS)},
-	Title = {Studies in Configuration Interaction: The First-Row Diatomic Hydrides},
-	Url = {http://dx.doi.org/10.1103/physrev.183.23},
-	Volume = {183},
-	Year = {1969},
+	author = {Bender, Charles F. and Davidson, Ernest R.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1103/physrev.183.23},
+	issn = {0031-899X},
+	journal = {Phys. Rev.},
+	month = {Jul},
+	number = {1},
+	pages = {23--30},
+	publisher = {American Physical Society (APS)},
+	title = {Studies in Configuration Interaction: The First-Row Diatomic Hydrides},
+	url = {http://dx.doi.org/10.1103/physrev.183.23},
+	volume = {183},
+	year = {1969},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1103/physrev.183.23}}
 
 @article{Berge_s_2008,
-	Author = {Berg{\`e}s, Jacqueline and Varmenot, Nicolas and Scemama, Anthony and Abedinzadeh, Zohreh and Bobrowski, Krzysztof},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1021/jp711944v},
-	Issn = {1520-5215},
-	Journal = {J. Phys. Chem. A},
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-	Number = {30},
-	Pages = {7015--7026},
-	Publisher = {American Chemical Society (ACS)},
-	Title = {Energies, Stability and Structure Properties of Radicals Derived from Organic Sulfides Containing an Acetyl Group after the*OH Attack: ab Initio and DFT Calculations vs Experiment},
-	Url = {http://dx.doi.org/10.1021/jp711944v},
-	Volume = {112},
-	Year = {2008},
+	author = {Berg{\`e}s, Jacqueline and Varmenot, Nicolas and Scemama, Anthony and Abedinzadeh, Zohreh and Bobrowski, Krzysztof},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1021/jp711944v},
+	issn = {1520-5215},
+	journal = {J. Phys. Chem. A},
+	month = {Jul},
+	number = {30},
+	pages = {7015--7026},
+	publisher = {American Chemical Society (ACS)},
+	title = {Energies, Stability and Structure Properties of Radicals Derived from Organic Sulfides Containing an Acetyl Group after the*OH Attack: ab Initio and DFT Calculations vs Experiment},
+	url = {http://dx.doi.org/10.1021/jp711944v},
+	volume = {112},
+	year = {2008},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1021/jp711944v}}
 
 @article{Bernard_2013,
-	Author = {Bernard, Yves A. and Loos, Pierre-Fran{\c c}ois and Gill, Peter M.W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1080/00268976.2013.811302},
-	File = {/Users/loos/Zotero/storage/8XRA54GV/39.pdf},
-	Issn = {0026-8976, 1362-3028},
-	Journal = {Mol. Phys.},
-	Language = {en},
-	Month = sep,
-	Number = {16-17},
-	Pages = {2414-2426},
-	Title = {Distribution of r {\textsubscript{12}} $\cdot$ p {\textsubscript{12}} in Quantum Systems},
-	Volume = {111},
-	Year = {2013},
+	author = {Bernard, Yves A. and Loos, Pierre-Fran{\c c}ois and Gill, Peter M.W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1080/00268976.2013.811302},
+	file = {/Users/loos/Zotero/storage/8XRA54GV/39.pdf},
+	issn = {0026-8976, 1362-3028},
+	journal = {Mol. Phys.},
+	language = {en},
+	month = sep,
+	number = {16-17},
+	pages = {2414-2426},
+	title = {Distribution of r {\textsubscript{12}} $\cdot$ p {\textsubscript{12}} in Quantum Systems},
+	volume = {111},
+	year = {2013},
 	Bdsk-Url-1 = {https://doi.org/10.1080/00268976.2013.811302}}
 
 @article{Blunt_2015,
-	Author = {Blunt, N. S. and Smart, Simon D. and Booth, George H. and Alavi, Ali},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.4932595},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = oct,
-	Number = {13},
-	Pages = {134117},
-	Title = {An Excited-State Approach within Full Configuration Interaction Quantum {{Monte Carlo}}},
-	Volume = {143},
-	Year = {2015},
+	author = {Blunt, N. S. and Smart, Simon D. and Booth, George H. and Alavi, Ali},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.4932595},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = oct,
+	number = {13},
+	pages = {134117},
+	title = {An Excited-State Approach within Full Configuration Interaction Quantum {{Monte Carlo}}},
+	volume = {143},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4932595}}
 
 @article{Blunt_2017,
-	Author = {Blunt, N. S. and Neuscamman, Eric},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.4998197},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = nov,
-	Number = {19},
-	Pages = {194101},
-	Shorttitle = {Charge-Transfer Excited States},
-	Title = {Charge-Transfer Excited States: {{Seeking}} a Balanced and Efficient Wave Function Ansatz in Variational {{Monte Carlo}}},
-	Volume = {147},
-	Year = {2017},
+	author = {Blunt, N. S. and Neuscamman, Eric},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.4998197},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = nov,
+	number = {19},
+	pages = {194101},
+	shorttitle = {Charge-Transfer Excited States},
+	title = {Charge-Transfer Excited States: {{Seeking}} a Balanced and Efficient Wave Function Ansatz in Variational {{Monte Carlo}}},
+	volume = {147},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4998197}}
 
 @article{Blunt_2018,
-	Author = {N. S. Blunt},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.5037923},
-	Journal = {J. Chem. Phys.},
-	Pages = {221101},
-	Title = {An efficient and accurate perturbative correction to initiator full configuration interaction quantum Monte Carlo},
-	Volume = {148},
-	Year = {2018},
+	author = {N. S. Blunt},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.5037923},
+	journal = {J. Chem. Phys.},
+	pages = {221101},
+	title = {An efficient and accurate perturbative correction to initiator full configuration interaction quantum Monte Carlo},
+	volume = {148},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.5037923}}
 
 @article{Boblest_2014,
-	Author = {S. Boblest and C. Schimeczek and G. Wunner},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Journal = {Phys. Rev. A},
-	Pages = {012505},
-	Volume = {89},
-	Year = {2014}}
+	author = {S. Boblest and C. Schimeczek and G. Wunner},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	journal = {Phys. Rev. A},
+	pages = {012505},
+	volume = {89},
+	year = {2014}}
 
 @article{Bockrath_1999,
-	Author = {M. Bockrath and D. H. Cobden and J. Lu and A. G. Rinzler and R. E. Smalley and L. Balents and P. L. McEuen},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1038/17569},
-	Journal = {Nature},
-	Pages = {598},
-	Title = {Luttinger-liquid behaviour in carbon nanotubes},
-	Volume = {397},
-	Year = {1999},
+	author = {M. Bockrath and D. H. Cobden and J. Lu and A. G. Rinzler and R. E. Smalley and L. Balents and P. L. McEuen},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1038/17569},
+	journal = {Nature},
+	pages = {598},
+	title = {Luttinger-liquid behaviour in carbon nanotubes},
+	volume = {397},
+	year = {1999},
 	Bdsk-Url-1 = {https://doi.org/10.1038/17569}}
 
 @article{Boggio-Pasqua_2000,
-	Abstract = {Realistic analytical representations of the twelve lowest singlet and triplet electronic adiabatic potential energy curves of C2 molecule are given in this article. The corresponding electronic states are correlated with C atoms both in their 3P state. A new set of high level MRCI calculations coupled with a double many-body expansion analytical \textregistered{}tting based on the extended Hartree$\pm$Fock approximate correlation energy model have been used in this work. Using RKR data available in the literature, comparison is made between our results and RKR turning points concerning the four lowest singlet states X1Sg1, A1Pu, B1Dg and BH 1Sg1 of C2. The agreement is very satisfying. q 2000 Elsevier Science B.V. All rights reserved.},
-	Author = {{Boggio-Pasqua}, M. and Voronin, A.I. and Halvick, Ph. and Rayez, J.-C.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1016/S0166-1280(00)00442-5},
-	File = {/Users/loos/Zotero/storage/8BP7KA4E/Boggio-Pasqua et al. - 2000 - Analytical representations of high level ab initio.pdf},
-	Issn = {01661280},
-	Journal = {Journal of Molecular Structure: THEOCHEM},
-	Language = {en},
-	Month = oct,
-	Number = {1-3},
-	Pages = {159-167},
-	Title = {Analytical Representations of High Level Ab Initio Potential Energy Curves of the {{C}} 2 Molecule},
-	Volume = {531},
-	Year = {2000},
+	abstract = {Realistic analytical representations of the twelve lowest singlet and triplet electronic adiabatic potential energy curves of C2 molecule are given in this article. The corresponding electronic states are correlated with C atoms both in their 3P state. A new set of high level MRCI calculations coupled with a double many-body expansion analytical \textregistered{}tting based on the extended Hartree$\pm$Fock approximate correlation energy model have been used in this work. Using RKR data available in the literature, comparison is made between our results and RKR turning points concerning the four lowest singlet states X1Sg1, A1Pu, B1Dg and BH 1Sg1 of C2. The agreement is very satisfying. q 2000 Elsevier Science B.V. All rights reserved.},
+	author = {{Boggio-Pasqua}, M. and Voronin, A.I. and Halvick, Ph. and Rayez, J.-C.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1016/S0166-1280(00)00442-5},
+	file = {/Users/loos/Zotero/storage/8BP7KA4E/Boggio-Pasqua et al. - 2000 - Analytical representations of high level ab initio.pdf},
+	issn = {01661280},
+	journal = {Journal of Molecular Structure: THEOCHEM},
+	language = {en},
+	month = oct,
+	number = {1-3},
+	pages = {159-167},
+	title = {Analytical Representations of High Level Ab Initio Potential Energy Curves of the {{C}} 2 Molecule},
+	volume = {531},
+	year = {2000},
 	Bdsk-Url-1 = {https://doi.org/10.1016/S0166-1280(00)00442-5}}
 
 @article{Boggio-Pasqua_2004,
-	Author = {{Boggio-Pasqua}, Martial and Bearpark, Michael J. and Klene, Michael and Robb, Michael A.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.1690756},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = may,
-	Number = {17},
-	Pages = {7849-7860},
-	Title = {A Computational Strategy for Geometry Optimization of Ionic and Covalent Excited States, Applied to Butadiene and Hexatriene},
-	Volume = {120},
-	Year = {2004},
+	author = {{Boggio-Pasqua}, Martial and Bearpark, Michael J. and Klene, Michael and Robb, Michael A.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.1690756},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = may,
+	number = {17},
+	pages = {7849-7860},
+	title = {A Computational Strategy for Geometry Optimization of Ionic and Covalent Excited States, Applied to Butadiene and Hexatriene},
+	volume = {120},
+	year = {2004},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1690756}}
 
 @article{Boggio-Pasqua_2007,
-	Author = {{Boggio-Pasqua}, Martial and Bearpark, Michael J. and Robb, Michael A.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1021/jo070452v},
-	Issn = {0022-3263, 1520-6904},
-	Journal = {J. Org. Chem.},
-	Language = {en},
-	Month = jun,
-	Number = {12},
-	Pages = {4497-4503},
-	Title = {Toward a {{Mechanistic Understanding}} of the {{Photochromism}} of {{Dimethyldihydropyrenes}}},
-	Volume = {72},
-	Year = {2007},
+	author = {{Boggio-Pasqua}, Martial and Bearpark, Michael J. and Robb, Michael A.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1021/jo070452v},
+	issn = {0022-3263, 1520-6904},
+	journal = {J. Org. Chem.},
+	language = {en},
+	month = jun,
+	number = {12},
+	pages = {4497-4503},
+	title = {Toward a {{Mechanistic Understanding}} of the {{Photochromism}} of {{Dimethyldihydropyrenes}}},
+	volume = {72},
+	year = {2007},
 	Bdsk-Url-1 = {https://doi.org/10.1021/jo070452v}}
 
 @article{Bomble_2004,
-	Author = {Bomble, Yannick J. and Sattelmeyer, Kurt W. and Stanton, John F. and Gauss, J\"urgen},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.1780159},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = sep,
-	Number = {11},
-	Pages = {5236-5240},
-	Title = {On the Vertical Excitation Energy of Cyclopentadiene},
-	Volume = {121},
-	Year = {2004},
+	author = {Bomble, Yannick J. and Sattelmeyer, Kurt W. and Stanton, John F. and Gauss, J\"urgen},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.1780159},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = sep,
+	number = {11},
+	pages = {5236-5240},
+	title = {On the Vertical Excitation Energy of Cyclopentadiene},
+	volume = {121},
+	year = {2004},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1780159}}
 
 @article{Booth_2009,
-	Author = {Booth, George H. and Thom, Alex J. W. and Alavi, Ali},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.3193710},
-	File = {Full Text PDF:/home/scemama/Dropbox/Zotero/storage/2MNQC3DS/Booth et al. - 2009 - Fermion Monte Carlo without fixed nodes A game of.pdf:application/pdf;JChemPhys_131_054106.pdf:/home/scemama/Dropbox/Zotero/storage/AYB9I4U9/JChemPhys_131_054106.pdf:application/pdf;Snapshot:/home/scemama/Dropbox/Zotero/storage/U56UGSZM/Booth et al. - 2009 - Fermion Monte Carlo without fixed nodes A game of.html:text/html},
-	Issn = {0021-9606},
-	Journal = {J. Chem. Phys.},
-	Month = aug,
-	Number = {5},
-	Pages = {054106},
-	Shorttitle = {Fermion {Monte} {Carlo} without fixed nodes},
-	Title = {Fermion {Monte} {Carlo} without fixed nodes: {A} game of life, death, and annihilation in {Slater} determinant space},
-	Url = {http://aip.scitation.org/doi/full/10.1063/1.3193710},
-	Urldate = {2017-11-13},
-	Volume = {131},
-	Year = {2009},
+	author = {Booth, George H. and Thom, Alex J. W. and Alavi, Ali},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.3193710},
+	file = {Full Text PDF:/home/scemama/Dropbox/Zotero/storage/2MNQC3DS/Booth et al. - 2009 - Fermion Monte Carlo without fixed nodes A game of.pdf:application/pdf;JChemPhys_131_054106.pdf:/home/scemama/Dropbox/Zotero/storage/AYB9I4U9/JChemPhys_131_054106.pdf:application/pdf;Snapshot:/home/scemama/Dropbox/Zotero/storage/U56UGSZM/Booth et al. - 2009 - Fermion Monte Carlo without fixed nodes A game of.html:text/html},
+	issn = {0021-9606},
+	journal = {J. Chem. Phys.},
+	month = aug,
+	number = {5},
+	pages = {054106},
+	shorttitle = {Fermion {Monte} {Carlo} without fixed nodes},
+	title = {Fermion {Monte} {Carlo} without fixed nodes: {A} game of life, death, and annihilation in {Slater} determinant space},
+	url = {http://aip.scitation.org/doi/full/10.1063/1.3193710},
+	urldate = {2017-11-13},
+	volume = {131},
+	year = {2009},
 	Bdsk-Url-1 = {http://aip.scitation.org/doi/full/10.1063/1.3193710},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.3193710}}
 
 @article{Booth_2011,
-	Author = {Booth, George H. and Cleland, Deidre and Thom, Alex J. W. and Alavi, Ali},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.3624383},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = aug,
-	Number = {8},
-	Pages = {084104},
-	Shorttitle = {Breaking the Carbon Dimer},
-	Title = {Breaking the Carbon Dimer: {{The}} Challenges of Multiple Bond Dissociation with Full Configuration Interaction Quantum {{Monte Carlo}} Methods},
-	Volume = {135},
-	Year = {2011},
+	author = {Booth, George H. and Cleland, Deidre and Thom, Alex J. W. and Alavi, Ali},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.3624383},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = aug,
+	number = {8},
+	pages = {084104},
+	shorttitle = {Breaking the Carbon Dimer},
+	title = {Breaking the Carbon Dimer: {{The}} Challenges of Multiple Bond Dissociation with Full Configuration Interaction Quantum {{Monte Carlo}} Methods},
+	volume = {135},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3624383}}
 
 @article{Borgoo_2015,
-	Abstract = {This expression gives the difference between an excitation energy E1 - E0 and the corresponding Kohn\textendash{}Sham orbital energy difference $\epsilon$1 - $\epsilon$0 as a partial derivative of the exchange-correlation energy of an ensemble of states Exc,w[$\rho$]. Through Lieb maximisation, on input full-CI density functions, the exchange-correlation energy is evaluated accurately and the partial derivative is evaluated numerically using finite difference. The equality is studied numerically for different geometries of the H2 molecule and different ensemble weights. We explore the adiabatic connection for the ensemble exchange-correlation energy. The latter may prove useful when modelling the unknown weight dependence of the exchange-correlation energy.},
-	Address = {Athens, Greece},
-	Author = {Borgoo, Alex and Teale, Andy M. and Helgaker, Trygve},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.4938857},
-	File = {/Users/loos/Zotero/storage/HRM8DPU6/Borgoo et al. - 2015 - Excitation energies from ensemble DFT.pdf},
-	Journal = {AIP Conf. Proc.},
-	Language = {en},
-	Pages = {090049},
-	Title = {Excitation Energies from Ensemble {{DFT}}},
-	Volume = {1702},
-	Year = {2015},
+	abstract = {This expression gives the difference between an excitation energy E1 - E0 and the corresponding Kohn\textendash{}Sham orbital energy difference $\epsilon$1 - $\epsilon$0 as a partial derivative of the exchange-correlation energy of an ensemble of states Exc,w[$\rho$]. Through Lieb maximisation, on input full-CI density functions, the exchange-correlation energy is evaluated accurately and the partial derivative is evaluated numerically using finite difference. The equality is studied numerically for different geometries of the H2 molecule and different ensemble weights. We explore the adiabatic connection for the ensemble exchange-correlation energy. The latter may prove useful when modelling the unknown weight dependence of the exchange-correlation energy.},
+	address = {Athens, Greece},
+	author = {Borgoo, Alex and Teale, Andy M. and Helgaker, Trygve},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.4938857},
+	file = {/Users/loos/Zotero/storage/HRM8DPU6/Borgoo et al. - 2015 - Excitation energies from ensemble DFT.pdf},
+	journal = {AIP Conf. Proc.},
+	language = {en},
+	pages = {090049},
+	title = {Excitation Energies from Ensemble {{DFT}}},
+	volume = {1702},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4938857}}
 
 @article{Boschen_2014,
-	Author = {Boschen, Jeffery S. and Theis, Daniel and Ruedenberg, Klaus and Windus, Theresa L.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1007/s00214-013-1425-x},
-	Issn = {1432-881X, 1432-2234},
-	Journal = {Theor. Chem. Acc.},
-	Language = {en},
-	Month = feb,
-	Number = {2},
-	Title = {Accurate Ab Initio Potential Energy Curves and Spectroscopic Properties of the Four Lowest Singlet States of {{C2}}},
-	Volume = {133},
-	Year = {2014},
+	author = {Boschen, Jeffery S. and Theis, Daniel and Ruedenberg, Klaus and Windus, Theresa L.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1007/s00214-013-1425-x},
+	issn = {1432-881X, 1432-2234},
+	journal = {Theor. Chem. Acc.},
+	language = {en},
+	month = feb,
+	number = {2},
+	title = {Accurate Ab Initio Potential Energy Curves and Spectroscopic Properties of the Four Lowest Singlet States of {{C2}}},
+	volume = {133},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1007/s00214-013-1425-x}}
 
 @article{Bouabca_2009,
-	Author = {Bouab{\c c}a, Thomas and Ben Amor, Nadia and Maynau, Daniel and Caffarel, Michel},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.3086023},
-	File = {/Users/loos/Zotero/storage/3KDG45R5/Bouab{\c c}a et al. - 2009 - A study of the fixed-node error in quantum Monte C.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = mar,
-	Number = {11},
-	Pages = {114107},
-	Shorttitle = {A Study of the Fixed-Node Error in Quantum {{Monte Carlo}} Calculations of Electronic Transitions},
-	Title = {A Study of the Fixed-Node Error in Quantum {{Monte Carlo}} Calculations of Electronic Transitions: {{The}} Case of the Singlet N$\rightarrow\pi{_\ast}$ ({{CO}}) Transition of the Acrolein},
-	Volume = {130},
-	Year = {2009},
+	author = {Bouab{\c c}a, Thomas and Ben Amor, Nadia and Maynau, Daniel and Caffarel, Michel},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.3086023},
+	file = {/Users/loos/Zotero/storage/3KDG45R5/Bouab{\c c}a et al. - 2009 - A study of the fixed-node error in quantum Monte C.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = mar,
+	number = {11},
+	pages = {114107},
+	shorttitle = {A Study of the Fixed-Node Error in Quantum {{Monte Carlo}} Calculations of Electronic Transitions},
+	title = {A Study of the Fixed-Node Error in Quantum {{Monte Carlo}} Calculations of Electronic Transitions: {{The}} Case of the Singlet N$\rightarrow\pi{_\ast}$ ({{CO}}) Transition of the Acrolein},
+	volume = {130},
+	year = {2009},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3086023}}
 
 @incollection{Bressanini_2001,
-	Author = {D. Bressanini and D. M. Ceperley and P. Reynolds},
-	Booktitle = {Recent Advances in Quantum Monte Carlo Methods},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Editor = {W. A. {Lester Jr.} and S. M. Rothstein and S. Tanaka},
-	Publisher = {World Scientfic},
-	Title = {What do we know about wave function nodes?},
-	Volume = {2},
-	Year = {2001}}
+	author = {D. Bressanini and D. M. Ceperley and P. Reynolds},
+	booktitle = {Recent Advances in Quantum Monte Carlo Methods},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	editor = {W. A. {Lester Jr.} and S. M. Rothstein and S. Tanaka},
+	publisher = {World Scientfic},
+	title = {What do we know about wave function nodes?},
+	volume = {2},
+	year = {2001}}
 
 @article{Bressanini_2005a,
-	Author = {D. Bressanini and P. J. Reynolds},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Journal = {Phys. Rev. Lett.},
-	Pages = {110201},
-	Title = {Unexpected Symmetry in the Nodal Structure of the He Atom},
-	Volume = {95},
-	Year = {2005}}
+	author = {D. Bressanini and P. J. Reynolds},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	journal = {Phys. Rev. Lett.},
+	pages = {110201},
+	title = {Unexpected Symmetry in the Nodal Structure of the He Atom},
+	volume = {95},
+	year = {2005}}
 
 @article{Bressanini_2005b,
-	Author = {D. Bressanini and G. Morosi and S. Tarasco},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Journal = {J. Chem. Phys.},
-	Pages = {204109},
-	Title = {An investigation of nodal structures and the construction of trial wave functions},
-	Volume = {123},
-	Year = {2005}}
+	author = {D. Bressanini and G. Morosi and S. Tarasco},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	journal = {J. Chem. Phys.},
+	pages = {204109},
+	title = {An investigation of nodal structures and the construction of trial wave functions},
+	volume = {123},
+	year = {2005}}
 
 @article{Bressanini_2008,
-	Author = {D. Bressanini and G. Morosi},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Journal = {J. Chem. Phys.},
-	Pages = {054103},
-	Title = {On the nodal structure of single-particle approximation based atomic wave functions},
-	Volume = {129},
-	Year = {2008}}
+	author = {D. Bressanini and G. Morosi},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	journal = {J. Chem. Phys.},
+	pages = {054103},
+	title = {On the nodal structure of single-particle approximation based atomic wave functions},
+	volume = {129},
+	year = {2008}}
 
 @article{Bressanini_2012,
-	Author = {D. Bressanini},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Journal = {Phys. Rev. B},
-	Pages = {115120},
-	Title = {Implications of the two nodal domains conjecture for ground state fermionic wave functions},
-	Volume = {86},
-	Year = {2012}}
+	author = {D. Bressanini},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	journal = {Phys. Rev. B},
+	pages = {115120},
+	title = {Implications of the two nodal domains conjecture for ground state fermionic wave functions},
+	volume = {86},
+	year = {2012}}
 
 @article{Bridgeman_2000,
-	Author = {Bridgeman, Adam J. and Rothery, Joanne},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1039/a906523g},
-	Issn = {1364-5447},
-	Journal = {J. Chem. Soc. Dalton Trans.},
-	Number = {2},
-	Pages = {211--218},
-	Publisher = {Royal Society of Chemistry (RSC)},
-	Title = {Periodic trends in the diatomic monoxides and monosulfides of the 3d transition metals},
-	Url = {http://dx.doi.org/10.1039/a906523g},
-	Year = {2000},
+	author = {Bridgeman, Adam J. and Rothery, Joanne},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1039/a906523g},
+	issn = {1364-5447},
+	journal = {J. Chem. Soc. Dalton Trans.},
+	number = {2},
+	pages = {211--218},
+	publisher = {Royal Society of Chemistry (RSC)},
+	title = {Periodic trends in the diatomic monoxides and monosulfides of the 3d transition metals},
+	url = {http://dx.doi.org/10.1039/a906523g},
+	year = {2000},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1039/a906523g}}
 
 @article{Budzak_2017,
-	Author = {Budz{\'a}k, {\v S}. and Scalmani, G. and Jacquemin, D.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {6237--6252},
-	Title = {Accurate Excited-State Geometries: a CASPT2 and Coupled-Cluster Reference Database for Small Molecules},
-	Volume = {13},
-	Year = {2017}}
+	author = {Budz{\'a}k, {\v S}. and Scalmani, G. and Jacquemin, D.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	journal = {J. Chem. Theory Comput.},
+	pages = {6237--6252},
+	title = {Accurate Excited-State Geometries: a CASPT2 and Coupled-Cluster Reference Database for Small Molecules},
+	volume = {13},
+	year = {2017}}
 
 @article{Buendia_2006,
-	Author = {E. Buend{\'\i}a and F.J. G{\'a}lvez and A. Sarsa},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {https://doi.org/10.1016/j.cplett.2006.07.027},
-	Issn = {0009-2614},
-	Journal = {Chem. Phys. Lett.},
-	Number = {4},
-	Pages = {241 - 244},
-	Title = {Correlated wave functions for the ground state of the atoms Li through Kr},
-	Url = {http://www.sciencedirect.com/science/article/pii/S0009261406010372},
-	Volume = {428},
-	Year = {2006},
+	author = {E. Buend{\'\i}a and F.J. G{\'a}lvez and A. Sarsa},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {https://doi.org/10.1016/j.cplett.2006.07.027},
+	issn = {0009-2614},
+	journal = {Chem. Phys. Lett.},
+	number = {4},
+	pages = {241 - 244},
+	title = {Correlated wave functions for the ground state of the atoms Li through Kr},
+	url = {http://www.sciencedirect.com/science/article/pii/S0009261406010372},
+	volume = {428},
+	year = {2006},
 	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0009261406010372},
 	Bdsk-Url-2 = {https://doi.org/10.1016/j.cplett.2006.07.027}}
 
 @article{Buendia_2013,
-	Author = {E. Buend{\'\i}a and F.J. G{\'a}lvez and P. Maldonado and A. Sarsa},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {https://doi.org/10.1016/j.cplett.2012.12.055},
-	Issn = {0009-2614},
-	Journal = {Chem. Phys. Lett.},
-	Number = {Supplement C},
-	Pages = {12 - 17},
-	Title = {Quantum Monte Carlo ionization potential and electron affinity for transition metal atoms},
-	Url = {http://www.sciencedirect.com/science/article/pii/S0009261413000079},
-	Volume = {559},
-	Year = {2013},
+	author = {E. Buend{\'\i}a and F.J. G{\'a}lvez and P. Maldonado and A. Sarsa},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {https://doi.org/10.1016/j.cplett.2012.12.055},
+	issn = {0009-2614},
+	journal = {Chem. Phys. Lett.},
+	number = {Supplement C},
+	pages = {12 - 17},
+	title = {Quantum Monte Carlo ionization potential and electron affinity for transition metal atoms},
+	url = {http://www.sciencedirect.com/science/article/pii/S0009261413000079},
+	volume = {559},
+	year = {2013},
 	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0009261413000079},
 	Bdsk-Url-2 = {https://doi.org/10.1016/j.cplett.2012.12.055}}
 
 @article{Buenker_1968,
-	Author = {Buenker, Robert J. and Peyerimhoff, Sigrid D.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1007/BF00528266},
-	Issn = {0040-5744, 1432-2234},
-	Journal = {Theor. Chem. Acc.},
-	Language = {en},
-	Number = {3},
-	Pages = {183-199},
-	Title = {{{CI}} Method for the Study of General Molecular Potentials},
-	Volume = {12},
-	Year = {1968},
+	author = {Buenker, Robert J. and Peyerimhoff, Sigrid D.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1007/BF00528266},
+	issn = {0040-5744, 1432-2234},
+	journal = {Theor. Chem. Acc.},
+	language = {en},
+	number = {3},
+	pages = {183-199},
+	title = {{{CI}} Method for the Study of General Molecular Potentials},
+	volume = {12},
+	year = {1968},
 	Bdsk-Url-1 = {https://doi.org/10.1007/BF00528266}}
 
 @article{Buenker_2014,
-	Author = {Buenker, Robert J. and Phillips, Robin A. and Krebs, Stefan and Liebermann, Heinz-Peter and Alekseyev, Aleksey B. and Funke, Peter},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1007/s00214-014-1468-7},
-	File = {Full Text PDF:/home/scemama/Dropbox/Zotero/storage/9C9YFWDL/Buenker et al. - 2014 - The Wuppertal multireference configuration interac.pdf:application/pdf;Snapshot:/home/scemama/Dropbox/Zotero/storage/8KCIVRJS/10.html:text/html},
-	Issn = {1432-881X, 1432-2234},
-	Journal = {Theor. Chem. Acc.},
-	Language = {en},
-	Month = apr,
-	Number = {4},
-	Pages = {1468},
-	Title = {The {Wuppertal} multireference configuration interaction ({MRD}-{CI}) program system},
-	Url = {https://link.springer.com/article/10.1007/s00214-014-1468-7},
-	Urldate = {2017-11-13},
-	Volume = {133},
-	Year = {2014},
+	author = {Buenker, Robert J. and Phillips, Robin A. and Krebs, Stefan and Liebermann, Heinz-Peter and Alekseyev, Aleksey B. and Funke, Peter},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1007/s00214-014-1468-7},
+	file = {Full Text PDF:/home/scemama/Dropbox/Zotero/storage/9C9YFWDL/Buenker et al. - 2014 - The Wuppertal multireference configuration interac.pdf:application/pdf;Snapshot:/home/scemama/Dropbox/Zotero/storage/8KCIVRJS/10.html:text/html},
+	issn = {1432-881X, 1432-2234},
+	journal = {Theor. Chem. Acc.},
+	language = {en},
+	month = apr,
+	number = {4},
+	pages = {1468},
+	title = {The {Wuppertal} multireference configuration interaction ({MRD}-{CI}) program system},
+	url = {https://link.springer.com/article/10.1007/s00214-014-1468-7},
+	urldate = {2017-11-13},
+	volume = {133},
+	year = {2014},
 	Bdsk-Url-1 = {https://link.springer.com/article/10.1007/s00214-014-1468-7},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1007/s00214-014-1468-7}}
 
 @article{Bunge_2006,
-	Author = {Bunge, Carlos F. and Carb{\'o}-Dorca, Ramon},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.2207621},
-	File = {Snapshot:/home/scemama/Dropbox/Zotero/storage/SB8DJGT3/1.html:text/html},
-	Issn = {0021-9606},
-	Journal = {J. Chem. Phys.},
-	Month = jul,
-	Number = {1},
-	Pages = {014108},
-	Title = {Select-divide-and-conquer method for large-scale configuration interaction},
-	Url = {http://aip.scitation.org/doi/abs/10.1063/1.2207621},
-	Urldate = {2017-11-17},
-	Volume = {125},
-	Year = {2006},
+	author = {Bunge, Carlos F. and Carb{\'o}-Dorca, Ramon},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.2207621},
+	file = {Snapshot:/home/scemama/Dropbox/Zotero/storage/SB8DJGT3/1.html:text/html},
+	issn = {0021-9606},
+	journal = {J. Chem. Phys.},
+	month = jul,
+	number = {1},
+	pages = {014108},
+	title = {Select-divide-and-conquer method for large-scale configuration interaction},
+	url = {http://aip.scitation.org/doi/abs/10.1063/1.2207621},
+	urldate = {2017-11-17},
+	volume = {125},
+	year = {2006},
 	Bdsk-Url-1 = {http://aip.scitation.org/doi/abs/10.1063/1.2207621},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2207621}}
 
 @article{Burkatzki_2007,
-	Author = {Burkatzki, M. and Filippi, C. and Dolg, M.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.2741534},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Jun},
-	Number = {23},
-	Pages = {234105},
-	Publisher = {AIP Publishing},
-	Title = {Energy-consistent pseudopotentials for quantum Monte Carlo calculations},
-	Url = {http://dx.doi.org/10.1063/1.2741534},
-	Volume = {126},
-	Year = {2007},
+	author = {Burkatzki, M. and Filippi, C. and Dolg, M.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.2741534},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Jun},
+	number = {23},
+	pages = {234105},
+	publisher = {AIP Publishing},
+	title = {Energy-consistent pseudopotentials for quantum Monte Carlo calculations},
+	url = {http://dx.doi.org/10.1063/1.2741534},
+	volume = {126},
+	year = {2007},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.2741534}}
 
 @article{Burkatzki_2008,
-	Author = {Burkatzki, M. and Filippi, Claudia and Dolg, M.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.2987872},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Oct},
-	Number = {16},
-	Pages = {164115},
-	Publisher = {AIP Publishing},
-	Title = {Energy-consistent small-core pseudopotentials for 3d-transition metals adapted to quantum Monte Carlo calculations},
-	Url = {http://dx.doi.org/10.1063/1.2987872},
-	Volume = {129},
-	Year = {2008},
+	author = {Burkatzki, M. and Filippi, Claudia and Dolg, M.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.2987872},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Oct},
+	number = {16},
+	pages = {164115},
+	publisher = {AIP Publishing},
+	title = {Energy-consistent small-core pseudopotentials for 3d-transition metals adapted to quantum Monte Carlo calculations},
+	url = {http://dx.doi.org/10.1063/1.2987872},
+	volume = {129},
+	year = {2008},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.2987872}}
 
 @article{Burnett_1993,
-	Author = {K. Burnett and V. C. Reed and P. L. Knight},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Journal = {J. Phys. B: At. Mol. Opt. Phys.},
-	Pages = {561},
-	Title = {Atoms in ultra-intense laser fields},
-	Volume = {26},
-	Year = {1993}}
+	author = {K. Burnett and V. C. Reed and P. L. Knight},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	journal = {J. Phys. B: At. Mol. Opt. Phys.},
+	pages = {561},
+	title = {Atoms in ultra-intense laser fields},
+	volume = {26},
+	year = {1993}}
 
 @article{Bytautas_2009,
-	Author = {Bytautas, Laimutis and Ruedenberg, Klaus},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1016/j.chemphys.2008.11.021},
-	Issn = {0301-0104},
-	Journal = {Chem. Phys.},
-	Month = {Feb},
-	Number = {1-3},
-	Pages = {64--75},
-	Publisher = {Elsevier BV},
-	Title = {A priori identification of configurational deadwood},
-	Url = {http://dx.doi.org/10.1016/j.chemphys.2008.11.021},
-	Volume = {356},
-	Year = {2009},
+	author = {Bytautas, Laimutis and Ruedenberg, Klaus},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1016/j.chemphys.2008.11.021},
+	issn = {0301-0104},
+	journal = {Chem. Phys.},
+	month = {Feb},
+	number = {1-3},
+	pages = {64--75},
+	publisher = {Elsevier BV},
+	title = {A priori identification of configurational deadwood},
+	url = {http://dx.doi.org/10.1016/j.chemphys.2008.11.021},
+	volume = {356},
+	year = {2009},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1016/j.chemphys.2008.11.021}}
 
 @article{Caffarel_2005,
-	Author = {Michel Caffarel and Jean-Pierre Daudey and Jean-Louis Heully and Alejandro Ram{\'\i}rez-Sol{\'\i}s},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.2011393},
-	Journal = {J. Chem. Phys.},
-	Number = {9},
-	Pages = {094102},
-	Title = {Towards accurate all-electron quantum Monte Carlo calculations of transition-metal systems: Spectroscopy of the copper atom},
-	Url = {https://doi.org/10.1063/1.2011393},
-	Volume = {123},
-	Year = {2005},
+	author = {Michel Caffarel and Jean-Pierre Daudey and Jean-Louis Heully and Alejandro Ram{\'\i}rez-Sol{\'\i}s},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.2011393},
+	journal = {J. Chem. Phys.},
+	number = {9},
+	pages = {094102},
+	title = {Towards accurate all-electron quantum Monte Carlo calculations of transition-metal systems: Spectroscopy of the copper atom},
+	url = {https://doi.org/10.1063/1.2011393},
+	volume = {123},
+	year = {2005},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.2011393},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2011393}}
 
 @article{Caffarel_2007,
-	Author = {Caffarel, Michel and Hern{\'a}ndez-Lamoneda, Ram{\'o}n and Scemama, Anthony and Ram{\'\i}rez-Sol{\'\i}s, Alejandro},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1103/physrevlett.99.153001},
-	Issn = {1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Oct},
-	Number = {15},
-	Publisher = {American Physical Society (APS)},
-	Title = {Multireference Quantum Monte Carlo Study of theO4Molecule},
-	Url = {http://dx.doi.org/10.1103/PhysRevLett.99.153001},
-	Volume = {99},
-	Year = {2007},
+	author = {Caffarel, Michel and Hern{\'a}ndez-Lamoneda, Ram{\'o}n and Scemama, Anthony and Ram{\'\i}rez-Sol{\'\i}s, Alejandro},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1103/physrevlett.99.153001},
+	issn = {1079-7114},
+	journal = {Phys. Rev. Lett.},
+	month = {Oct},
+	number = {15},
+	publisher = {American Physical Society (APS)},
+	title = {Multireference Quantum Monte Carlo Study of theO4Molecule},
+	url = {http://dx.doi.org/10.1103/PhysRevLett.99.153001},
+	volume = {99},
+	year = {2007},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevLett.99.153001},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1103/physrevlett.99.153001}}
 
 @article{Caffarel_2009,
-	Author = {Caffarel, Michel and Scemama, Anthony and Ram{\'\i}rez-Sol{\'\i}s, Alejandro},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1007/s00214-009-0713-y},
-	Issn = {1432-2234},
-	Journal = {Theor. Chem. Acc.},
-	Month = {Dec},
-	Number = {3-4},
-	Pages = {275--287},
-	Publisher = {Springer Nature},
-	Title = {The lithium--thiophene interaction: a critical study using highly correlated electronic structure approaches of quantum chemistry},
-	Url = {http://dx.doi.org/10.1007/s00214-009-0713-y},
-	Volume = {126},
-	Year = {2009},
+	author = {Caffarel, Michel and Scemama, Anthony and Ram{\'\i}rez-Sol{\'\i}s, Alejandro},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1007/s00214-009-0713-y},
+	issn = {1432-2234},
+	journal = {Theor. Chem. Acc.},
+	month = {Dec},
+	number = {3-4},
+	pages = {275--287},
+	publisher = {Springer Nature},
+	title = {The lithium--thiophene interaction: a critical study using highly correlated electronic structure approaches of quantum chemistry},
+	url = {http://dx.doi.org/10.1007/s00214-009-0713-y},
+	volume = {126},
+	year = {2009},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1007/s00214-009-0713-y}}
 
 @article{Caffarel_2010,
-	Author = {Thomas Bouab\c{c}a and Beno\^{i}t Bra\"{\i}da and Michel Caffarel},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.3457364},
-	Journal = {J. Chem. Phys.},
-	Number = {4},
-	Pages = {044111},
-	Title = {Multi-Jastrow trial wavefunctions for electronic structure calculations with quantum Monte Carlo},
-	Url = {https://doi.org/10.1063/1.3457364},
-	Volume = {133},
-	Year = {2010},
+	author = {Thomas Bouab\c{c}a and Beno\^{i}t Bra\"{\i}da and Michel Caffarel},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.3457364},
+	journal = {J. Chem. Phys.},
+	number = {4},
+	pages = {044111},
+	title = {Multi-Jastrow trial wavefunctions for electronic structure calculations with quantum Monte Carlo},
+	url = {https://doi.org/10.1063/1.3457364},
+	volume = {133},
+	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3457364},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.3457364}}
 
 @article{Caffarel_2014,
-	Author = {Caffarel, Michel and Giner, Emmanuel and Scemama, Anthony and Ram{\'\i}rez-Sol{\'\i}s, Alejandro},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1021/ct5004252},
-	Issn = {1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Month = {Dec},
-	Number = {12},
-	Pages = {5286--5296},
-	Publisher = {American Chemical Society (ACS)},
-	Title = {Spin Density Distribution in Open-Shell Transition Metal Systems: A Comparative Post-Hartree--Fock, Density Functional Theory, and Quantum Monte Carlo Study of the CuCl2Molecule},
-	Url = {http://dx.doi.org/10.1021/ct5004252},
-	Volume = {10},
-	Year = {2014},
+	author = {Caffarel, Michel and Giner, Emmanuel and Scemama, Anthony and Ram{\'\i}rez-Sol{\'\i}s, Alejandro},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1021/ct5004252},
+	issn = {1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	month = {Dec},
+	number = {12},
+	pages = {5286--5296},
+	publisher = {American Chemical Society (ACS)},
+	title = {Spin Density Distribution in Open-Shell Transition Metal Systems: A Comparative Post-Hartree--Fock, Density Functional Theory, and Quantum Monte Carlo Study of the CuCl2Molecule},
+	url = {http://dx.doi.org/10.1021/ct5004252},
+	volume = {10},
+	year = {2014},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1021/ct5004252}}
 
 @article{Caffarel_2016,
-	Author = {Caffarel, Michel and Applencourt, Thomas and Giner, Emmanuel and Scemama, Anthony},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.4947093},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Apr},
-	Number = {15},
-	Pages = {151103},
-	Publisher = {AIP Publishing},
-	Title = {Communication: Toward an improved control of the fixed-node error in quantum Monte Carlo: The case of the water molecule},
-	Url = {http://dx.doi.org/10.1063/1.4947093},
-	Volume = {144},
-	Year = {2016},
+	author = {Caffarel, Michel and Applencourt, Thomas and Giner, Emmanuel and Scemama, Anthony},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.4947093},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Apr},
+	number = {15},
+	pages = {151103},
+	publisher = {AIP Publishing},
+	title = {Communication: Toward an improved control of the fixed-node error in quantum Monte Carlo: The case of the water molecule},
+	url = {http://dx.doi.org/10.1063/1.4947093},
+	volume = {144},
+	year = {2016},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4947093}}
 
 @inbook{Caffarel_2016b,
-	Author = {Michel Caffarel and Thomas Applencourt and Emmanuel Giner and Anthony Scemama},
-	Booktitle = {Recent Progress in Quantum Monte Carlo},
-	Chapter = {2},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1021/bk-2016-1234.ch002},
-	Pages = {15-46},
-	Title = {Using CIPSI Nodes in Diffusion Monte Carlo},
-	Url = {http://pubs.acs.org/doi/abs/10.1021/bk-2016-1234.ch002},
-	Year = {2016},
+	author = {Michel Caffarel and Thomas Applencourt and Emmanuel Giner and Anthony Scemama},
+	booktitle = {Recent Progress in Quantum Monte Carlo},
+	chapter = {2},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1021/bk-2016-1234.ch002},
+	pages = {15-46},
+	title = {Using CIPSI Nodes in Diffusion Monte Carlo},
+	url = {http://pubs.acs.org/doi/abs/10.1021/bk-2016-1234.ch002},
+	year = {2016},
 	Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/bk-2016-1234.ch002},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1021/bk-2016-1234.ch002}}
 
 @article{Cai_2000c,
-	Author = {Zheng-Li Cai and David J. Tozer and Jeffrey R. Reimers},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.1312826},
-	Journal = {J. Chem. Phys.},
-	Number = {17},
-	Pages = {7084--7096},
-	Title = {Time-Dependent Density-Functional Determination of Arbitrary Singlet and Triplet Excited-State Potential Energy Surfaces: Application to the Water Molecule},
-	Url = {https://doi.org/10.1063/1.1312826},
-	Volume = {113},
-	Year = {2000},
+	author = {Zheng-Li Cai and David J. Tozer and Jeffrey R. Reimers},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.1312826},
+	journal = {J. Chem. Phys.},
+	number = {17},
+	pages = {7084--7096},
+	title = {Time-Dependent Density-Functional Determination of Arbitrary Singlet and Triplet Excited-State Potential Energy Surfaces: Application to the Water Molecule},
+	url = {https://doi.org/10.1063/1.1312826},
+	volume = {113},
+	year = {2000},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1312826}}
 
 @article{Caricato_2010,
-	Author = {Caricato, M. and Trucks, G. W. and Frisch, M. J. and Wiberg, K. B.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {370--383},
-	Title = {Electronic Transition Energies: A Study of the Performance of a Large Range of Single Reference Density Functional and Wave Function Methods on Valence and Rydberg States Compared to Experiment},
-	Volume = {6},
-	Year = 2010}
+	author = {Caricato, M. and Trucks, G. W. and Frisch, M. J. and Wiberg, K. B.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	journal = {J. Chem. Theory Comput.},
+	pages = {370--383},
+	title = {Electronic Transition Energies: A Study of the Performance of a Large Range of Single Reference Density Functional and Wave Function Methods on Valence and Rydberg States Compared to Experiment},
+	volume = {6},
+	year = 2010}
 
 @article{Carrascal_2015,
-	Abstract = {This review explains the relationship between density functional theory and strongly correlated models using the simplest possible example, the two-site Hubbard model. The relationship to traditional quantum chemistry is included. Even in this elementary example, where the exact ground-state energy and site occupations can be found analytically, there is much to be explained in terms of the underlying logic and aims of density functional theory. Although the usual solution is analytic, the density functional is given only implicitly. We overcome this difficulty using the Levy\textendash{}Lieb construction to create a parametrization of the exact function with negligible errors. The symmetric case is most commonly studied, but we find a rich variation in behavior by including asymmetry, as strong correlation physics vies with charge-transfer effects. We explore the behavior of the gap and the many-body Green's function, demonstrating the `failure' of the Kohn\textendash{}Sham (KS) method to reproduce the fundamental gap. We perform benchmark calculations of the occupation and components of the KS potentials, the correlation kinetic energies, and the adiabatic connection. We test several approximate functionals (restricted and unrestricted Hartree\textendash{}Fock and Bethe ansatz local density approximation) to show their successes and limitations. We also discuss and illustrate the concept of the derivative discontinuity. Useful appendices include analytic expressions for density functional energy components, several limits of the exact functional (weak- and strong-coupling, symmetric and asymmetric), various adiabatic connection results, proofs of exact conditions for this model, and the origin of the Hubbard model from a minimal basis model for stretched H2.},
-	Author = {Carrascal, D J and Ferrer, J and Smith, J C and Burke, K},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1088/0953-8984/27/39/393001},
-	File = {/Users/loos/Zotero/storage/LRMWNYEQ/Carrascal et al. - 2015 - The Hubbard dimer a density functional case study.pdf},
-	Issn = {0953-8984, 1361-648X},
-	Journal = {J. Phys. Condens. Matter},
-	Language = {en},
-	Month = oct,
-	Number = {39},
-	Pages = {393001},
-	Shorttitle = {The {{Hubbard}} Dimer},
-	Title = {The {{Hubbard}} Dimer: A Density Functional Case Study of a Many-Body Problem},
-	Volume = {27},
-	Year = {2015},
+	abstract = {This review explains the relationship between density functional theory and strongly correlated models using the simplest possible example, the two-site Hubbard model. The relationship to traditional quantum chemistry is included. Even in this elementary example, where the exact ground-state energy and site occupations can be found analytically, there is much to be explained in terms of the underlying logic and aims of density functional theory. Although the usual solution is analytic, the density functional is given only implicitly. We overcome this difficulty using the Levy\textendash{}Lieb construction to create a parametrization of the exact function with negligible errors. The symmetric case is most commonly studied, but we find a rich variation in behavior by including asymmetry, as strong correlation physics vies with charge-transfer effects. We explore the behavior of the gap and the many-body Green's function, demonstrating the `failure' of the Kohn\textendash{}Sham (KS) method to reproduce the fundamental gap. We perform benchmark calculations of the occupation and components of the KS potentials, the correlation kinetic energies, and the adiabatic connection. We test several approximate functionals (restricted and unrestricted Hartree\textendash{}Fock and Bethe ansatz local density approximation) to show their successes and limitations. We also discuss and illustrate the concept of the derivative discontinuity. Useful appendices include analytic expressions for density functional energy components, several limits of the exact functional (weak- and strong-coupling, symmetric and asymmetric), various adiabatic connection results, proofs of exact conditions for this model, and the origin of the Hubbard model from a minimal basis model for stretched H2.},
+	author = {Carrascal, D J and Ferrer, J and Smith, J C and Burke, K},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1088/0953-8984/27/39/393001},
+	file = {/Users/loos/Zotero/storage/LRMWNYEQ/Carrascal et al. - 2015 - The Hubbard dimer a density functional case study.pdf},
+	issn = {0953-8984, 1361-648X},
+	journal = {J. Phys. Condens. Matter},
+	language = {en},
+	month = oct,
+	number = {39},
+	pages = {393001},
+	shorttitle = {The {{Hubbard}} Dimer},
+	title = {The {{Hubbard}} Dimer: A Density Functional Case Study of a Many-Body Problem},
+	volume = {27},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1088/0953-8984/27/39/393001}}
 
 @article{Carrascal_2018,
-	Abstract = {The asymmetric Hubbard dimer is used to study the density-dependence of the exact frequencydependent kernel of linear-response time-dependent density functional theory. The exact form of the kernel is given, and the limitations of the adiabatic approximation utilizing the exact ground-state functional are shown. The oscillator strength sum rule is proven for lattice Hamiltonians, and relative oscillator strengths are defined appropriately. The method of Casida for extracting oscillator strengths from a frequencydependent kernel is demonstrated to yield the exact result with this kernel. An unambiguous way of labelling the nature of excitations is given. The fluctuation-dissipation theorem is proven for the groundstate exchange-correlation energy. The distinction between weak and strong correlation is shown to depend on the ratio of interaction to asymmetry. A simple interpolation between carefully defined weak-correlation and strong-correlation regimes yields a density-functional approximation for the kernel that gives accurate transition frequencies for both the single and double excitations, including charge-transfer excitations. Many exact results, limits, and expansions about those limits are given in the Appendices.},
-	Author = {Carrascal, Diego J. and Ferrer, Jaime and Maitra, Neepa and Burke, Kieron},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1140/epjb/e2018-90114-9},
-	File = {/Users/loos/Zotero/storage/YFNPCZLK/Carrascal et al. - 2018 - Linear response time-dependent density functional .pdf},
-	Issn = {1434-6028, 1434-6036},
-	Journal = {Eur. Phys. J. B},
-	Language = {en},
-	Month = jul,
-	Number = {7},
-	Title = {Linear Response Time-Dependent Density Functional Theory of the {{Hubbard}} Dimer},
-	Volume = {91},
-	Year = {2018},
+	abstract = {The asymmetric Hubbard dimer is used to study the density-dependence of the exact frequencydependent kernel of linear-response time-dependent density functional theory. The exact form of the kernel is given, and the limitations of the adiabatic approximation utilizing the exact ground-state functional are shown. The oscillator strength sum rule is proven for lattice Hamiltonians, and relative oscillator strengths are defined appropriately. The method of Casida for extracting oscillator strengths from a frequencydependent kernel is demonstrated to yield the exact result with this kernel. An unambiguous way of labelling the nature of excitations is given. The fluctuation-dissipation theorem is proven for the groundstate exchange-correlation energy. The distinction between weak and strong correlation is shown to depend on the ratio of interaction to asymmetry. A simple interpolation between carefully defined weak-correlation and strong-correlation regimes yields a density-functional approximation for the kernel that gives accurate transition frequencies for both the single and double excitations, including charge-transfer excitations. Many exact results, limits, and expansions about those limits are given in the Appendices.},
+	author = {Carrascal, Diego J. and Ferrer, Jaime and Maitra, Neepa and Burke, Kieron},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1140/epjb/e2018-90114-9},
+	file = {/Users/loos/Zotero/storage/YFNPCZLK/Carrascal et al. - 2018 - Linear response time-dependent density functional .pdf},
+	issn = {1434-6028, 1434-6036},
+	journal = {Eur. Phys. J. B},
+	language = {en},
+	month = jul,
+	number = {7},
+	title = {Linear Response Time-Dependent Density Functional Theory of the {{Hubbard}} Dimer},
+	volume = {91},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1140/epjb/e2018-90114-9}}
 
 @article{Casula_2006,
-	Author = {Casula, Michele},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1103/physrevb.74.161102},
-	Issn = {1550-235X},
-	Journal = {Phys. Rev. B},
-	Month = {Oct},
-	Number = {16},
-	Publisher = {American Physical Society (APS)},
-	Title = {Beyond the locality approximation in the standard diffusion Monte Carlo method},
-	Url = {http://dx.doi.org/10.1103/PhysRevB.74.161102},
-	Volume = {74},
-	Year = {2006},
+	author = {Casula, Michele},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1103/physrevb.74.161102},
+	issn = {1550-235X},
+	journal = {Phys. Rev. B},
+	month = {Oct},
+	number = {16},
+	publisher = {American Physical Society (APS)},
+	title = {Beyond the locality approximation in the standard diffusion Monte Carlo method},
+	url = {http://dx.doi.org/10.1103/PhysRevB.74.161102},
+	volume = {74},
+	year = {2006},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.74.161102},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1103/physrevb.74.161102}}
 
 @article{Casula_2009,
-	Author = {Casula, Michele and Marchi, Mariapia and Azadi, Sam and Sorella, Sandro},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1016/j.cplett.2009.07.005},
-	Issn = {0009-2614},
-	Journal = {Chem. Phys. Lett.},
-	Month = {Aug},
-	Number = {4-6},
-	Pages = {255--258},
-	Publisher = {Elsevier BV},
-	Title = {A consistent description of the iron dimer spectrum with a correlated single-determinant wave function},
-	Url = {http://dx.doi.org/10.1016/j.cplett.2009.07.005},
-	Volume = {477},
-	Year = {2009},
+	author = {Casula, Michele and Marchi, Mariapia and Azadi, Sam and Sorella, Sandro},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1016/j.cplett.2009.07.005},
+	issn = {0009-2614},
+	journal = {Chem. Phys. Lett.},
+	month = {Aug},
+	number = {4-6},
+	pages = {255--258},
+	publisher = {Elsevier BV},
+	title = {A consistent description of the iron dimer spectrum with a correlated single-determinant wave function},
+	url = {http://dx.doi.org/10.1016/j.cplett.2009.07.005},
+	volume = {477},
+	year = {2009},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1016/j.cplett.2009.07.005}}
 
 @article{Casula_2010,
-	Author = {Casula, Michele and Moroni, Saverio and Sorella, Sandro and Filippi, Claudia},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.3380831},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Apr},
-	Number = {15},
-	Pages = {154113},
-	Publisher = {AIP Publishing},
-	Title = {Size-consistent variational approaches to nonlocal pseudopotentials: Standard and lattice regularized diffusion Monte Carlo methods revisited},
-	Url = {http://dx.doi.org/10.1063/1.3380831},
-	Volume = {132},
-	Year = {2010},
+	author = {Casula, Michele and Moroni, Saverio and Sorella, Sandro and Filippi, Claudia},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.3380831},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Apr},
+	number = {15},
+	pages = {154113},
+	publisher = {AIP Publishing},
+	title = {Size-consistent variational approaches to nonlocal pseudopotentials: Standard and lattice regularized diffusion Monte Carlo methods revisited},
+	url = {http://dx.doi.org/10.1063/1.3380831},
+	volume = {132},
+	year = {2010},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.3380831}}
 
 @article{Catalan_2006,
-	Author = {Catal\'an, J. and {de Paz}, J. L. G.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.2158992},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = jan,
-	Number = {3},
-	Pages = {034306},
-	Shorttitle = {On the Photophysics of All- {\emph{Trans}} Polyenes},
-	Title = {On the Photophysics of All- {\emph{Trans}} Polyenes: {{Hexatriene}} versus Octatetraene},
-	Volume = {124},
-	Year = {2006},
+	author = {Catal\'an, J. and {de Paz}, J. L. G.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.2158992},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = jan,
+	number = {3},
+	pages = {034306},
+	shorttitle = {On the Photophysics of All- {\emph{Trans}} Polyenes},
+	title = {On the Photophysics of All- {\emph{Trans}} Polyenes: {{Hexatriene}} versus Octatetraene},
+	volume = {124},
+	year = {2006},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.2158992}}
 
 @article{Cave_1988b,
-	Author = {Cave, Robert J. and Davidson, Ernest R.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1021/j100314a009},
-	Issn = {0022-3654, 1541-5740},
-	Journal = {J. Phys. Chem.},
-	Language = {en},
-	Month = feb,
-	Number = {3},
-	Pages = {614-620},
-	Title = {Theoretical Investigation of Several Low-Lying States of Trans, Trans-1, 3,5-Hexatriene},
-	Volume = {92},
-	Year = {1988},
+	author = {Cave, Robert J. and Davidson, Ernest R.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1021/j100314a009},
+	issn = {0022-3654, 1541-5740},
+	journal = {J. Phys. Chem.},
+	language = {en},
+	month = feb,
+	number = {3},
+	pages = {614-620},
+	title = {Theoretical Investigation of Several Low-Lying States of Trans, Trans-1, 3,5-Hexatriene},
+	volume = {92},
+	year = {1988},
 	Bdsk-Url-1 = {https://doi.org/10.1021/j100314a009}}
 
 @article{Cave_2004,
-	Author = {Cave, Robert J. and Zhang, Fan and Maitra, Neepa T. and Burke, Kieron},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1016/j.cplett.2004.03.051},
-	File = {/Users/loos/Zotero/storage/6L9X6HT4/Cave et al. - 2004 - A dressed TDDFT treatment of the 21Ag states of bu.pdf},
-	Issn = {00092614},
-	Journal = {Chem. Phys. Lett.},
-	Language = {en},
-	Month = may,
-	Number = {1-3},
-	Pages = {39-42},
-	Title = {A Dressed {{TDDFT}} Treatment of the {{21Ag}} States of Butadiene and Hexatriene},
-	Volume = {389},
-	Year = {2004},
+	author = {Cave, Robert J. and Zhang, Fan and Maitra, Neepa T. and Burke, Kieron},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1016/j.cplett.2004.03.051},
+	file = {/Users/loos/Zotero/storage/6L9X6HT4/Cave et al. - 2004 - A dressed TDDFT treatment of the 21Ag states of bu.pdf},
+	issn = {00092614},
+	journal = {Chem. Phys. Lett.},
+	language = {en},
+	month = may,
+	number = {1-3},
+	pages = {39-42},
+	title = {A Dressed {{TDDFT}} Treatment of the {{21Ag}} States of Butadiene and Hexatriene},
+	volume = {389},
+	year = {2004},
 	Bdsk-Url-1 = {https://doi.org/10.1016/j.cplett.2004.03.051}}
 
 @inbook{Ceperley_1979,
-	Author = {D. M. Ceperley and M. H. Kalos},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Editor = {K. Binder},
-	Publisher = {Springer Verlag, Berlin},
-	Title = {Monte Carlo Methods in Statistical Physics},
-	Year = {1979}}
+	author = {D. M. Ceperley and M. H. Kalos},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	editor = {K. Binder},
+	publisher = {Springer Verlag, Berlin},
+	title = {Monte Carlo Methods in Statistical Physics},
+	year = {1979}}
 
 @article{Ceperley_1980,
-	Author = {D. M. Ceperley and B. J. Alder},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Journal = {Phys. Rev. Lett.},
-	Keywords = {dft, qmech; jellium},
-	Pages = {566--569},
-	Title = {Ground State of the Electron Gas by a Stochastic Method},
-	Volume = {45},
-	Year = {1980}}
+	author = {D. M. Ceperley and B. J. Alder},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	journal = {Phys. Rev. Lett.},
+	keywords = {dft, qmech; jellium},
+	pages = {566--569},
+	title = {Ground State of the Electron Gas by a Stochastic Method},
+	volume = {45},
+	year = {1980}}
 
 @article{Ceperley_1991,
-	Author = {D. M. Ceperley},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Journal = {J. Stat. Phys.},
-	Pages = {1237},
-	Title = {Fermion Nodes},
-	Volume = {63},
-	Year = {1991}}
+	author = {D. M. Ceperley},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	journal = {J. Stat. Phys.},
+	pages = {1237},
+	title = {Fermion Nodes},
+	volume = {63},
+	year = {1991}}
 
 @article{Chen_2016,
-	Author = {Chen, Ji and Zen, Andrea and Brandenburg, Jan Gerit and Alf\`e, Dario and Michaelides, Angelos},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1103/PhysRevB.94.220102},
-	Issue = {22},
-	Journal = {Phys. Rev. B},
-	Month = {Dec},
-	Numpages = {5},
-	Pages = {220102},
-	Publisher = {American Physical Society},
-	Title = {Evidence for stable square ice from quantum Monte Carlo},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.94.220102},
-	Volume = {94},
-	Year = {2016},
+	author = {Chen, Ji and Zen, Andrea and Brandenburg, Jan Gerit and Alf\`e, Dario and Michaelides, Angelos},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1103/PhysRevB.94.220102},
+	issue = {22},
+	journal = {Phys. Rev. B},
+	month = {Dec},
+	numpages = {5},
+	pages = {220102},
+	publisher = {American Physical Society},
+	title = {Evidence for stable square ice from quantum Monte Carlo},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.94.220102},
+	volume = {94},
+	year = {2016},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.94.220102},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.94.220102}}
 
 @article{Chien_2018,
-	Author = {Chien, Alan D. and Holmes, Adam A. and Otten, Matthew and Umrigar, C. J. and Sharma, Sandeep and Zimmerman, Paul M.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1021/acs.jpca.8b01554},
-	File = {/Users/loos/Zotero/storage/J96RZ7JP/Chien et al. - 2018 - Excited States of Methylene, Polyenes, and Ozone f.pdf},
-	Issn = {1089-5639, 1520-5215},
-	Journal = {J. Phys. Chem. A},
-	Language = {en},
-	Month = mar,
-	Number = {10},
-	Pages = {2714--2722},
-	Title = {Excited {{States}} of {{Methylene}}, {{Polyenes}}, and {{Ozone}} from {{Heat}}-{{Bath Configuration Interaction}}},
-	Volume = {122},
-	Year = {2018},
+	author = {Chien, Alan D. and Holmes, Adam A. and Otten, Matthew and Umrigar, C. J. and Sharma, Sandeep and Zimmerman, Paul M.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1021/acs.jpca.8b01554},
+	file = {/Users/loos/Zotero/storage/J96RZ7JP/Chien et al. - 2018 - Excited States of Methylene, Polyenes, and Ozone f.pdf},
+	issn = {1089-5639, 1520-5215},
+	journal = {J. Phys. Chem. A},
+	language = {en},
+	month = mar,
+	number = {10},
+	pages = {2714--2722},
+	title = {Excited {{States}} of {{Methylene}}, {{Polyenes}}, and {{Ozone}} from {{Heat}}-{{Bath Configuration Interaction}}},
+	volume = {122},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpca.8b01554}}
 
 @article{Christiansen_1991,
-	Author = {P. A. Christiansen},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.461491},
-	Journal = {J. Chem. Phys.},
-	Number = {1},
-	Pages = {361-363},
-	Title = {Relativistic effective potentials in transition metal quantum Monte Carlo simulations},
-	Url = {https://doi.org/10.1063/1.461491},
-	Volume = {95},
-	Year = {1991},
+	author = {P. A. Christiansen},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.461491},
+	journal = {J. Chem. Phys.},
+	number = {1},
+	pages = {361-363},
+	title = {Relativistic effective potentials in transition metal quantum Monte Carlo simulations},
+	url = {https://doi.org/10.1063/1.461491},
+	volume = {95},
+	year = {1991},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.461491},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.461491}}
 
-@article{Christiansen_1998,
-	Author = {Christiansen, Ove and Stanton, John F. and Gauss, J\"urgen},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.475801},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = mar,
-	Number = {10},
-	Pages = {3987-4001},
-	Title = {A Coupled Cluster Study of the 1 {{1A1g}} and 1 {{1B2u}} States of Benzene},
-	Volume = {108},
-	Year = {1998},
+@article{Christiansen_1998a,
+	author = {Christiansen, Ove and Stanton, John F. and Gauss, J\"urgen},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-11-18 08:48:02 +0100},
+	doi = {10.1063/1.475801},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = mar,
+	number = {10},
+	pages = {3987-4001},
+	title = {A Coupled Cluster Study of the 1 {{1A1g}} and 1 {{1B2u}} States of Benzene},
+	volume = {108},
+	year = {1998},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.475801}}
 
 @article{Chuvylkin_2010,
-	Author = {N. D. Chuvylkin and E. A. Smolenskiі and N. S. Zefirov},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Journal = {Doklady Physics},
-	Pages = {443},
-	Title = {An Insufficient Adequacy of Node Surfaces of Multielectron Wave Functions in the Hartree--Fock Approximation},
-	Volume = {55},
-	Year = {2010}}
+	author = {N. D. Chuvylkin and E. A. Smolenskiі and N. S. Zefirov},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	journal = {Doklady Physics},
+	pages = {443},
+	title = {An Insufficient Adequacy of Node Surfaces of Multielectron Wave Functions in the Hartree--Fock Approximation},
+	volume = {55},
+	year = {2010}}
 
 @article{Chuvylkin_2010a,
-	Author = {N. D. Chuvylkin and E. A. Smolenskiі and I. V. Kuzmin and N. S. Zefirov},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Journal = {Russian Chem. Bull.},
-	Pages = {2005},
-	Volume = {59},
-	Year = {2010}}
+	author = {N. D. Chuvylkin and E. A. Smolenskiі and I. V. Kuzmin and N. S. Zefirov},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	journal = {Russian Chem. Bull.},
+	pages = {2005},
+	volume = {59},
+	year = {2010}}
 
 @article{Cimiraglia_1985,
-	Author = {Cimiraglia, Renzo},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.449362},
-	File = {1%2E449362.pdf:/home/scemama/Dropbox/Zotero/storage/52SWQQR4/1%2E449362.pdf:application/pdf;1.449362.pdf:/home/scemama/Dropbox/Zotero/storage/E6WCUH8T/1.449362.pdf:application/pdf;Snapshot:/home/scemama/Dropbox/Zotero/storage/HLPRZTEI/1.html:text/html},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = aug,
-	Number = {4},
-	Pages = {1746--1749},
-	Shorttitle = {Second order perturbation correction to {CI} energies by use of diagrammatic techniques},
-	Title = {Second order perturbation correction to {CI} energies by use of diagrammatic techniques: {An} improvement to the {CIPSI} algorithm},
-	Url = {http://aip.scitation.org/doi/10.1063/1.449362},
-	Urldate = {2017-11-14},
-	Volume = {83},
-	Year = {1985},
+	author = {Cimiraglia, Renzo},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.449362},
+	file = {1%2E449362.pdf:/home/scemama/Dropbox/Zotero/storage/52SWQQR4/1%2E449362.pdf:application/pdf;1.449362.pdf:/home/scemama/Dropbox/Zotero/storage/E6WCUH8T/1.449362.pdf:application/pdf;Snapshot:/home/scemama/Dropbox/Zotero/storage/HLPRZTEI/1.html:text/html},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = aug,
+	number = {4},
+	pages = {1746--1749},
+	shorttitle = {Second order perturbation correction to {CI} energies by use of diagrammatic techniques},
+	title = {Second order perturbation correction to {CI} energies by use of diagrammatic techniques: {An} improvement to the {CIPSI} algorithm},
+	url = {http://aip.scitation.org/doi/10.1063/1.449362},
+	urldate = {2017-11-14},
+	volume = {83},
+	year = {1985},
 	Bdsk-Url-1 = {http://aip.scitation.org/doi/10.1063/1.449362},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.449362}}
 
 @article{Cimiraglia_1987,
-	Author = {Cimiraglia, Renzo and Persico, Maurizio},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	File = {28a1e2d5fd9eba4d0cba5227b6acd8463ff941ffaa24949d1437dfca2bc8f3c7.pdf:/home/scemama/Dropbox/Zotero/storage/4L9PPHEJ/28a1e2d5fd9eba4d0cba5227b6acd8463ff941ffaa24949d1437dfca2bc8f3c7.pdf:application/pdf;540080105_ftp.pdf:/home/scemama/Dropbox/Zotero/storage/MZIFQQ9W/540080105_ftp.pdf:application/pdf},
-	Journal = {J. Comput. Chem.},
-	Number = {1},
-	Pages = {39--47},
-	Shorttitle = {Recent advances in multireference second order perturbation {CI}},
-	Title = {Recent advances in multireference second order perturbation {CI}: {The} {CIPSI} method revisited},
-	Volume = {8},
-	Year = {1987}}
+	author = {Cimiraglia, Renzo and Persico, Maurizio},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	file = {28a1e2d5fd9eba4d0cba5227b6acd8463ff941ffaa24949d1437dfca2bc8f3c7.pdf:/home/scemama/Dropbox/Zotero/storage/4L9PPHEJ/28a1e2d5fd9eba4d0cba5227b6acd8463ff941ffaa24949d1437dfca2bc8f3c7.pdf:application/pdf;540080105_ftp.pdf:/home/scemama/Dropbox/Zotero/storage/MZIFQQ9W/540080105_ftp.pdf:application/pdf},
+	journal = {J. Comput. Chem.},
+	number = {1},
+	pages = {39--47},
+	shorttitle = {Recent advances in multireference second order perturbation {CI}},
+	title = {Recent advances in multireference second order perturbation {CI}: {The} {CIPSI} method revisited},
+	volume = {8},
+	year = {1987}}
 
 @article{Clima_2007,
-	Author = {Clima, Sergiu and Hendrickx, Marc F.A.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1016/j.cplett.2007.01.073},
-	Issn = {0009-2614},
-	Journal = {Chem. Phys. Lett.},
-	Month = {Mar},
-	Number = {4-6},
-	Pages = {341--345},
-	Publisher = {Elsevier BV},
-	Title = {Photoelectron spectra of FeS− explained by a CASPT2 ab initio study},
-	Url = {http://dx.doi.org/10.1016/j.cplett.2007.01.073},
-	Volume = {436},
-	Year = {2007},
+	author = {Clima, Sergiu and Hendrickx, Marc F.A.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1016/j.cplett.2007.01.073},
+	issn = {0009-2614},
+	journal = {Chem. Phys. Lett.},
+	month = {Mar},
+	number = {4-6},
+	pages = {341--345},
+	publisher = {Elsevier BV},
+	title = {Photoelectron spectra of FeS− explained by a CASPT2 ab initio study},
+	url = {http://dx.doi.org/10.1016/j.cplett.2007.01.073},
+	volume = {436},
+	year = {2007},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1016/j.cplett.2007.01.073}}
 
 @article{Cohen_2007,
-	Author = {Cohen, Aron J. and {Mori-S\'anchez}, Paula and Yang, Weitao},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1063/1.2741248},
-	File = {/Users/loos/Zotero/storage/LV8BEL9G/Cohen et al. - 2007 - Development of exchange-correlation functionals wi.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = may,
-	Number = {19},
-	Pages = {191109},
-	Title = {Development of Exchange-Correlation Functionals with Minimal Many-Electron Self-Interaction Error},
-	Volume = {126},
-	Year = {2007},
+	author = {Cohen, Aron J. and {Mori-S\'anchez}, Paula and Yang, Weitao},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1063/1.2741248},
+	file = {/Users/loos/Zotero/storage/LV8BEL9G/Cohen et al. - 2007 - Development of exchange-correlation functionals wi.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = may,
+	number = {19},
+	pages = {191109},
+	title = {Development of Exchange-Correlation Functionals with Minimal Many-Electron Self-Interaction Error},
+	volume = {126},
+	year = {2007},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.2741248}}
 
 @article{Cohen_2008,
-	Author = {Cohen, Aron J. and {Mori-S\'anchez}, Paula and Yang, Weitao},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:51 +0100},
-	Doi = {10.1103/PhysRevB.77.115123},
-	File = {/Users/loos/Zotero/storage/QYTAN7UQ/Cohen et al. - 2008 - Fractional charge perspective on the band gap in d.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = mar,
-	Number = {11},
-	Title = {Fractional Charge Perspective on the Band Gap in Density-Functional Theory},
-	Volume = {77},
-	Year = {2008},
+	author = {Cohen, Aron J. and {Mori-S\'anchez}, Paula and Yang, Weitao},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:51 +0100},
+	doi = {10.1103/PhysRevB.77.115123},
+	file = {/Users/loos/Zotero/storage/QYTAN7UQ/Cohen et al. - 2008 - Fractional charge perspective on the band gap in d.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = mar,
+	number = {11},
+	title = {Fractional Charge Perspective on the Band Gap in Density-Functional Theory},
+	volume = {77},
+	year = {2008},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.77.115123}}
 
 @article{Cohen_2008a,
-	Author = {Cohen, Aron J. and {Mori-S\'anchez}, Paula and Yang, Weitao},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.2987202},
-	File = {/Users/loos/Zotero/storage/GG72PJT7/Cohen et al. - 2008 - Fractional spins and static correlation error in d.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = sep,
-	Number = {12},
-	Pages = {121104},
-	Title = {Fractional Spins and Static Correlation Error in Density Functional Theory},
-	Volume = {129},
-	Year = {2008},
+	author = {Cohen, Aron J. and {Mori-S\'anchez}, Paula and Yang, Weitao},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.2987202},
+	file = {/Users/loos/Zotero/storage/GG72PJT7/Cohen et al. - 2008 - Fractional spins and static correlation error in d.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = sep,
+	number = {12},
+	pages = {121104},
+	title = {Fractional Spins and Static Correlation Error in Density Functional Theory},
+	volume = {129},
+	year = {2008},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.2987202}}
 
 @article{Cohen_2009,
-	Abstract = {In this work the behavior of MP2 for fractional occupations is investigated. The consideration of fractional charge behavior gives a simple derivation of an expression for the chemical potential (or the derivative of energy with respect to the number of electrons) of MP2. A generalized optimized effective potential formalism (OEP) has been developed in which the OEP is a nonlocal potential, which can be applied to explicit functionals of the orbitals and eigenvalues and also facilitates the evaluation of the chemical potential. The MP2 derivative improves upon the corresponding Koopmans' theorem in Hartree-Fock theory for the ionization energy and also gives a good estimate of the electron affinity. In strongly correlated systems with degeneracies and fractional spins, MP2 diverges, and another corrected second-order perturbative method ameliorates this failure for the energy but still does not recapture the correct behavior for the energy derivatives that yield the gap. Overall we present a view of wave function based methods and their behavior for fractional charges and spins that offers insight into the application of these methods to challenging chemical problems.},
-	Author = {Cohen, Aron J. and {Mori-S\'anchez}, Paula and Yang, Weitao},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/ct8005419},
-	File = {/Users/loos/Zotero/storage/KE5WMCA8/Cohen et al. - 2009 - Second-Order Perturbation Theory with Fractional C.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = apr,
-	Number = {4},
-	Pages = {786-792},
-	Title = {Second-{{Order Perturbation Theory}} with {{Fractional Charges}} and {{Fractional Spins}}},
-	Volume = {5},
-	Year = {2009},
+	abstract = {In this work the behavior of MP2 for fractional occupations is investigated. The consideration of fractional charge behavior gives a simple derivation of an expression for the chemical potential (or the derivative of energy with respect to the number of electrons) of MP2. A generalized optimized effective potential formalism (OEP) has been developed in which the OEP is a nonlocal potential, which can be applied to explicit functionals of the orbitals and eigenvalues and also facilitates the evaluation of the chemical potential. The MP2 derivative improves upon the corresponding Koopmans' theorem in Hartree-Fock theory for the ionization energy and also gives a good estimate of the electron affinity. In strongly correlated systems with degeneracies and fractional spins, MP2 diverges, and another corrected second-order perturbative method ameliorates this failure for the energy but still does not recapture the correct behavior for the energy derivatives that yield the gap. Overall we present a view of wave function based methods and their behavior for fractional charges and spins that offers insight into the application of these methods to challenging chemical problems.},
+	author = {Cohen, Aron J. and {Mori-S\'anchez}, Paula and Yang, Weitao},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/ct8005419},
+	file = {/Users/loos/Zotero/storage/KE5WMCA8/Cohen et al. - 2009 - Second-Order Perturbation Theory with Fractional C.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = apr,
+	number = {4},
+	pages = {786-792},
+	title = {Second-{{Order Perturbation Theory}} with {{Fractional Charges}} and {{Fractional Spins}}},
+	volume = {5},
+	year = {2009},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct8005419}}
 
 @article{Cohen_2012,
-	Author = {Cohen, Aron J. and {Mori-S\'anchez}, Paula and Yang, Weitao},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/cr200107z},
-	File = {/Users/loos/Zotero/storage/TKMU8F5B/Cohen et al. - 2012 - Challenges for Density Functional Theory.pdf},
-	Issn = {0009-2665, 1520-6890},
-	Journal = {Chem. Rev.},
-	Language = {en},
-	Month = jan,
-	Number = {1},
-	Pages = {289-320},
-	Title = {Challenges for {{Density Functional Theory}}},
-	Volume = {112},
-	Year = {2012},
+	author = {Cohen, Aron J. and {Mori-S\'anchez}, Paula and Yang, Weitao},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/cr200107z},
+	file = {/Users/loos/Zotero/storage/TKMU8F5B/Cohen et al. - 2012 - Challenges for Density Functional Theory.pdf},
+	issn = {0009-2665, 1520-6890},
+	journal = {Chem. Rev.},
+	language = {en},
+	month = jan,
+	number = {1},
+	pages = {289-320},
+	title = {Challenges for {{Density Functional Theory}}},
+	volume = {112},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1021/cr200107z}}
 
 @article{Cohen_2016,
-	Author = {Cohen, Aron J. and {Mori-S\'anchez}, Paula},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.93.042511},
-	File = {/Users/loos/Zotero/storage/T3UVHSB9/Cohen and Mori-S{\'a}nchez - 2016 - Landscape of an exact energy functional.pdf},
-	Issn = {2469-9926, 2469-9934},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = apr,
-	Number = {4},
-	Title = {Landscape of an Exact Energy Functional},
-	Volume = {93},
-	Year = {2016},
+	author = {Cohen, Aron J. and {Mori-S\'anchez}, Paula},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.93.042511},
+	file = {/Users/loos/Zotero/storage/T3UVHSB9/Cohen and Mori-S{\'a}nchez - 2016 - Landscape of an exact energy functional.pdf},
+	issn = {2469-9926, 2469-9934},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = apr,
+	number = {4},
+	title = {Landscape of an Exact Energy Functional},
+	volume = {93},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.93.042511}}
 
 @article{Crack_2014,
-	Author = {Crack, Jason C. and Green, Jeffrey and Thomson, Andrew J. and Brun, Nick E. Le},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/ar5002507},
-	Issn = {1520-4898},
-	Journal = {Acc. Chem. Res.},
-	Month = {Oct},
-	Number = {10},
-	Pages = {3196--3205},
-	Publisher = {American Chemical Society (ACS)},
-	Title = {Iron--Sulfur Clusters as Biological Sensors: The Chemistry of Reactions with Molecular Oxygen and Nitric Oxide},
-	Url = {http://dx.doi.org/10.1021/ar5002507},
-	Volume = {47},
-	Year = {2014},
+	author = {Crack, Jason C. and Green, Jeffrey and Thomson, Andrew J. and Brun, Nick E. Le},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/ar5002507},
+	issn = {1520-4898},
+	journal = {Acc. Chem. Res.},
+	month = {Oct},
+	number = {10},
+	pages = {3196--3205},
+	publisher = {American Chemical Society (ACS)},
+	title = {Iron--Sulfur Clusters as Biological Sensors: The Chemistry of Reactions with Molecular Oxygen and Nitric Oxide},
+	url = {http://dx.doi.org/10.1021/ar5002507},
+	volume = {47},
+	year = {2014},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1021/ar5002507}}
 
 @article{Daday_2012,
-	Author = {Daday, Csaba and Smart, Simon and Booth, George H. and Alavi, Ali and Filippi, Claudia},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/ct300486d},
-	File = {/Users/loos/Zotero/storage/APCJKTM8/Daday et al. - 2012 - Full Configuration Interaction Excitations of Ethe.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory. Comput.},
-	Language = {en},
-	Month = nov,
-	Number = {11},
-	Pages = {4441-4451},
-	Shorttitle = {Full {{Configuration Interaction Excitations}} of {{Ethene}} and {{Butadiene}}},
-	Title = {Full {{Configuration Interaction Excitations}} of {{Ethene}} and {{Butadiene}}: {{Resolution}} of an {{Ancient Question}}},
-	Volume = {8},
-	Year = {2012},
+	author = {Daday, Csaba and Smart, Simon and Booth, George H. and Alavi, Ali and Filippi, Claudia},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/ct300486d},
+	file = {/Users/loos/Zotero/storage/APCJKTM8/Daday et al. - 2012 - Full Configuration Interaction Excitations of Ethe.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory. Comput.},
+	language = {en},
+	month = nov,
+	number = {11},
+	pages = {4441-4451},
+	shorttitle = {Full {{Configuration Interaction Excitations}} of {{Ethene}} and {{Butadiene}}},
+	title = {Full {{Configuration Interaction Excitations}} of {{Ethene}} and {{Butadiene}}: {{Resolution}} of an {{Ancient Question}}},
+	volume = {8},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct300486d}}
 
 @article{Dallos_2004,
-	Author = {Dallos, Michal and Lischka, Hans},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1007/s00214-003-0557-9},
-	Issn = {1432-881X, 1432-2234},
-	Journal = {Theor. Chem. Acc.},
-	Month = apr,
-	Number = {1},
-	Pages = {16-26},
-	Title = {A Systematic Theoretical Investigation of the Lowest Valence- and {{Rydberg}}-Excited Singlet States of Trans-Butadiene. {{The}} Character of the 1 1 {{B}} u ({{V}}) State Revisited},
-	Volume = {112},
-	Year = {2004},
+	author = {Dallos, Michal and Lischka, Hans},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1007/s00214-003-0557-9},
+	issn = {1432-881X, 1432-2234},
+	journal = {Theor. Chem. Acc.},
+	month = apr,
+	number = {1},
+	pages = {16-26},
+	title = {A Systematic Theoretical Investigation of the Lowest Valence- and {{Rydberg}}-Excited Singlet States of Trans-Butadiene. {{The}} Character of the 1 1 {{B}} u ({{V}}) State Revisited},
+	volume = {112},
+	year = {2004},
 	Bdsk-Url-1 = {https://doi.org/10.1007/s00214-003-0557-9}}
 
 @article{Dash_2018,
-	Author = {M. Dash and S. Moroni and A. Scemama and C. Filippi},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {arXiv:1804.09610},
-	Title = {Perturbatively selected configuration-interaction wave functions for efficient geometry optimization in quantum Monte Carlo},
-	Year = {2018}}
+	author = {M. Dash and S. Moroni and A. Scemama and C. Filippi},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {arXiv:1804.09610},
+	title = {Perturbatively selected configuration-interaction wave functions for efficient geometry optimization in quantum Monte Carlo},
+	year = {2018}}
 
 @article{Delgado_2010,
-	Author = {Delgado, Juan Luis and Bouit, Pierre-Antoine and Filippone, Salvatore and Herranz, Ma\'Angeles and Mart\'in, Nazario},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1039/c003088k},
-	Issn = {1359-7345, 1364-548X},
-	Journal = {Chem. Comm.},
-	Language = {en},
-	Number = {27},
-	Pages = {4853},
-	Shorttitle = {Organic Photovoltaics},
-	Title = {Organic Photovoltaics: A Chemical Approach},
-	Volume = {46},
-	Year = {2010},
+	author = {Delgado, Juan Luis and Bouit, Pierre-Antoine and Filippone, Salvatore and Herranz, Ma\'Angeles and Mart\'in, Nazario},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1039/c003088k},
+	issn = {1359-7345, 1364-548X},
+	journal = {Chem. Comm.},
+	language = {en},
+	number = {27},
+	pages = {4853},
+	shorttitle = {Organic Photovoltaics},
+	title = {Organic Photovoltaics: A Chemical Approach},
+	volume = {46},
+	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1039/c003088k}}
 
 @article{Deshpande_2008,
-	Author = {Vikram V. Deshpande and Marc Bockrath},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1038/nphys895},
-	Journal = {Nature Physics},
-	Pages = {314},
-	Title = {The one-dimensional Wigner crystal in carbon nanotubes},
-	Volume = {4},
-	Year = {2008},
+	author = {Vikram V. Deshpande and Marc Bockrath},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1038/nphys895},
+	journal = {Nature Physics},
+	pages = {314},
+	title = {The one-dimensional Wigner crystal in carbon nanotubes},
+	volume = {4},
+	year = {2008},
 	Bdsk-Url-1 = {https://doi.org/10.1038/nphys895}}
 
 @article{Deshpande_2010,
-	Author = {Vikram V. Deshpande and Marc Bockrath and Leonid I. Glazman and Amir Yacoby},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1038/nature08918},
-	Issn = {7286},
-	Journal = {Nature},
-	Pages = {209-216},
-	Title = {Electron liquids and solids in one dimension},
-	Volume = {464},
-	Year = {2010},
+	author = {Vikram V. Deshpande and Marc Bockrath and Leonid I. Glazman and Amir Yacoby},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1038/nature08918},
+	issn = {7286},
+	journal = {Nature},
+	pages = {209-216},
+	title = {Electron liquids and solids in one dimension},
+	volume = {464},
+	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1038/nature08918}}
 
 @article{Deur_2017,
-	Author = {Deur, Killian and Mazouin, Laurent and Fromager, Emmanuel},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevB.95.035120},
-	File = {/Users/loos/Zotero/storage/966B9AIB/Deur et al. - 2017 - Exact ensemble density functional theory for excit.pdf},
-	Issn = {2469-9950, 2469-9969},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = jan,
-	Number = {3},
-	Pages = {035120},
-	Shorttitle = {Exact Ensemble Density Functional Theory for Excited States in a Model System},
-	Title = {Exact Ensemble Density Functional Theory for Excited States in a Model System: {{Investigating}} the Weight Dependence of the Correlation Energy},
-	Volume = {95},
-	Year = {2017},
+	author = {Deur, Killian and Mazouin, Laurent and Fromager, Emmanuel},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevB.95.035120},
+	file = {/Users/loos/Zotero/storage/966B9AIB/Deur et al. - 2017 - Exact ensemble density functional theory for excit.pdf},
+	issn = {2469-9950, 2469-9969},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = jan,
+	number = {3},
+	pages = {035120},
+	shorttitle = {Exact Ensemble Density Functional Theory for Excited States in a Model System},
+	title = {Exact Ensemble Density Functional Theory for Excited States in a Model System: {{Investigating}} the Weight Dependence of the Correlation Energy},
+	volume = {95},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.95.035120}}
 
 @article{Deur_2018,
-	Abstract = {Gross\textendash{}Oliveira\textendash{}Kohn density-functional theory (GOK-DFT) is an extension of DFT to excited states where the basic variable is the ensemble density, i.e. the weighted sum of ground- and excitedstate densities. The ensemble energy (i.e. the weighted sum of ground- and excited-state energies) can be obtained variationally as a functional of the ensemble density. Like in DFT, the key ingredient to model in GOK-DFT is the exchange-correlation functional. Developing density-functional approximations (DFAs) for ensembles is a complicated task as both density and weight dependencies should in principle be reproduced. In a recent paper [Phys. Rev. B 95, 035120 (2017)], the authors applied exact GOK-DFT to the simple but nontrivial Hubbard dimer in order to investigate (numerically) the importance of weight dependence in the calculation of excitation energies. In this work, we derive analytical DFAs for various density and correlation regimes by means of a Legendre\textendash{}Fenchel transform formalism. Both functional and density driven errors are evaluated for each DFA. Interestingly, when the ensemble exact-exchange-only functional is used, these errors can be large, in particular if the dimer is symmetric, but they cancel each other so that the excitation energies obtained by linear interpolation are always accurate, even in the strongly correlated regime.},
-	Archiveprefix = {arXiv},
-	Author = {Deur, Killian and Mazouin, Laurent and Senjean, Bruno and Fromager, Emmanuel},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1140/epjb/e2018-90124-7},
-	File = {/Users/loos/Zotero/storage/2398CIXN/Deur et al. - 2018 - Exploring weight-dependent density-functional appr.pdf},
-	Journal = {Eur. Phys. J. B},
-	Keywords = {Physics - Chemical Physics,Condensed Matter - Strongly Correlated Electrons},
-	Language = {en},
-	Month = jul,
-	Number = {7},
-	Pages = {162},
-	Title = {Exploring Weight-Dependent Density-Functional Approximations for Ensembles in the {{Hubbard}} Dimer},
-	Volume = {91},
-	Year = {2018},
+	abstract = {Gross\textendash{}Oliveira\textendash{}Kohn density-functional theory (GOK-DFT) is an extension of DFT to excited states where the basic variable is the ensemble density, i.e. the weighted sum of ground- and excitedstate densities. The ensemble energy (i.e. the weighted sum of ground- and excited-state energies) can be obtained variationally as a functional of the ensemble density. Like in DFT, the key ingredient to model in GOK-DFT is the exchange-correlation functional. Developing density-functional approximations (DFAs) for ensembles is a complicated task as both density and weight dependencies should in principle be reproduced. In a recent paper [Phys. Rev. B 95, 035120 (2017)], the authors applied exact GOK-DFT to the simple but nontrivial Hubbard dimer in order to investigate (numerically) the importance of weight dependence in the calculation of excitation energies. In this work, we derive analytical DFAs for various density and correlation regimes by means of a Legendre\textendash{}Fenchel transform formalism. Both functional and density driven errors are evaluated for each DFA. Interestingly, when the ensemble exact-exchange-only functional is used, these errors can be large, in particular if the dimer is symmetric, but they cancel each other so that the excitation energies obtained by linear interpolation are always accurate, even in the strongly correlated regime.},
+	archiveprefix = {arXiv},
+	author = {Deur, Killian and Mazouin, Laurent and Senjean, Bruno and Fromager, Emmanuel},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1140/epjb/e2018-90124-7},
+	file = {/Users/loos/Zotero/storage/2398CIXN/Deur et al. - 2018 - Exploring weight-dependent density-functional appr.pdf},
+	journal = {Eur. Phys. J. B},
+	keywords = {Physics - Chemical Physics,Condensed Matter - Strongly Correlated Electrons},
+	language = {en},
+	month = jul,
+	number = {7},
+	pages = {162},
+	title = {Exploring Weight-Dependent Density-Functional Approximations for Ensembles in the {{Hubbard}} Dimer},
+	volume = {91},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1140/epjb/e2018-90124-7}}
 
 @article{Deur_2019,
-	Author = {K. Deur and E. Fromager},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.5084312},
-	Journal = {J. Chem. Phys.},
-	Pages = {094106},
-	Title = {Ground and excited energy levels can be extracted exactly from a single ensemble density-functional theory calculation},
-	Volume = {150},
-	Year = {2019},
+	author = {K. Deur and E. Fromager},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.5084312},
+	journal = {J. Chem. Phys.},
+	pages = {094106},
+	title = {Ground and excited energy levels can be extracted exactly from a single ensemble density-functional theory calculation},
+	volume = {150},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.5084312}}
 
 @article{Diedrich_2005,
-	Author = {Diedrich, Christian and L{\"u}chow, Arne and Grimme, Stefan},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.1846654},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Jan},
-	Number = {2},
-	Pages = {021101},
-	Publisher = {AIP Publishing},
-	Title = {Performance of diffusion Monte Carlo for the first dissociation energies of transition metal carbonyls},
-	Url = {http://dx.doi.org/10.1063/1.1846654},
-	Volume = {122},
-	Year = {2005},
+	author = {Diedrich, Christian and L{\"u}chow, Arne and Grimme, Stefan},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.1846654},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Jan},
+	number = {2},
+	pages = {021101},
+	publisher = {AIP Publishing},
+	title = {Performance of diffusion Monte Carlo for the first dissociation energies of transition metal carbonyls},
+	url = {http://dx.doi.org/10.1063/1.1846654},
+	volume = {122},
+	year = {2005},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.1846654}}
 
 @article{Dierksen_2004,
-	Author = {Dierksen, M. and Grimme, S.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {J. Chem. Phys.},
-	Pages = {3544--3554},
-	Title = {A density functional calculation of the vibronic structure of electronic absorption spectra},
-	Volume = 120,
-	Year = 2004}
+	author = {Dierksen, M. and Grimme, S.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {J. Chem. Phys.},
+	pages = {3544--3554},
+	title = {A density functional calculation of the vibronic structure of electronic absorption spectra},
+	volume = 120,
+	year = 2004}
 
 @article{Dirac_1930,
-	Author = {Dirac, P. A. M.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1017/S0305004100016108},
-	Journal = {Proc. Cambridge Philos. Soc.},
-	Pages = {376},
-	Volume = 26,
-	Year = 1930,
+	author = {Dirac, P. A. M.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1017/S0305004100016108},
+	journal = {Proc. Cambridge Philos. Soc.},
+	pages = {376},
+	volume = 26,
+	year = 1930,
 	Bdsk-Url-1 = {https://doi.org/10.1017/S0305004100016108}}
 
 @article{Doblhoff_Dier_2016,
-	Author = {Doblhoff-Dier, Katharina and Meyer, J{\"o}rg and Hoggan, Philip E. and Kroes, Geert-Jan and Wagner, Lucas K.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/acs.jctc.6b00160},
-	Issn = {1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Month = {Jun},
-	Number = {6},
-	Pages = {2583--2597},
-	Publisher = {American Chemical Society (ACS)},
-	Title = {Diffusion Monte Carlo for Accurate Dissociation Energies of 3d Transition Metal Containing Molecules},
-	Url = {http://dx.doi.org/10.1021/acs.jctc.6b00160},
-	Volume = {12},
-	Year = {2016},
+	author = {Doblhoff-Dier, Katharina and Meyer, J{\"o}rg and Hoggan, Philip E. and Kroes, Geert-Jan and Wagner, Lucas K.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/acs.jctc.6b00160},
+	issn = {1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	month = {Jun},
+	number = {6},
+	pages = {2583--2597},
+	publisher = {American Chemical Society (ACS)},
+	title = {Diffusion Monte Carlo for Accurate Dissociation Energies of 3d Transition Metal Containing Molecules},
+	url = {http://dx.doi.org/10.1021/acs.jctc.6b00160},
+	volume = {12},
+	year = {2016},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1021/acs.jctc.6b00160}}
 
 @article{Dolgov_2004,
-	Author = {Dolgov, Eugeniy K. and Bataev, Vadim A. and Pupyshev, Vladimir I. and Godunov, Igor A.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/qua.10745},
-	Issn = {1097-461X},
-	Journal = {Int. J. Quantum Chem.},
-	Keywords = {nitrosomethane, excited states, torsion potential, CASSCF, MR-AQCC},
-	Number = {6},
-	Pages = {589--597},
-	Publisher = {Wiley Subscription Services, Inc., A Wiley Company},
-	Title = {Ab Initio Description of the Structure and Dynamics of the Nitrosomethane Molecule in the First Excited Singlet and Triplet Electronic States},
-	Url = {http://dx.doi.org/10.1002/qua.10745},
-	Volume = {96},
-	Year = {2004},
+	author = {Dolgov, Eugeniy K. and Bataev, Vadim A. and Pupyshev, Vladimir I. and Godunov, Igor A.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/qua.10745},
+	issn = {1097-461X},
+	journal = {Int. J. Quantum Chem.},
+	keywords = {nitrosomethane, excited states, torsion potential, CASSCF, MR-AQCC},
+	number = {6},
+	pages = {589--597},
+	publisher = {Wiley Subscription Services, Inc., A Wiley Company},
+	title = {Ab Initio Description of the Structure and Dynamics of the Nitrosomethane Molecule in the First Excited Singlet and Triplet Electronic States},
+	url = {http://dx.doi.org/10.1002/qua.10745},
+	volume = {96},
+	year = {2004},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1002/qua.10745}}
 
 @article{Dolgov_2004b,
-	Author = {Dolgov, Eugeniy K. and Bataev, Vadim A. and Godunov, Igor A.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/qua.10683},
-	Issn = {1097-461X},
-	Journal = {Int. J. Quantum Chem.},
-	Number = {3},
-	Pages = {193--201},
-	Title = {Structure of the Nitrosomethane Molecule (CH$_3$NO) in the Ground Electronic State: Testing of Ab Initio Methods for the Description of Potential Energy Surface},
-	Url = {http://dx.doi.org/10.1002/qua.10683},
-	Volume = {96},
-	Year = {2004},
+	author = {Dolgov, Eugeniy K. and Bataev, Vadim A. and Godunov, Igor A.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/qua.10683},
+	issn = {1097-461X},
+	journal = {Int. J. Quantum Chem.},
+	number = {3},
+	pages = {193--201},
+	title = {Structure of the Nitrosomethane Molecule (CH$_3$NO) in the Ground Electronic State: Testing of Ab Initio Methods for the Description of Potential Energy Surface},
+	url = {http://dx.doi.org/10.1002/qua.10683},
+	volume = {96},
+	year = {2004},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1002/qua.10683}}
 
 @article{Dolgov_2004c,
-	Author = {Dolgov, Eugeniy K. and Bataev, Vadim A. and Pupyshev, Vladimir I. and Godunov, Igor A.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/qua.20186},
-	Issn = {1097-461X},
-	Journal = {Int. J. Quantum Chem.},
-	Keywords = {excited electronic states, CASSCF, MR-CI, MR-AQCC, VibSCF},
-	Number = {4},
-	Pages = {509--518},
-	Publisher = {John Wiley & Sons, Inc.},
-	Title = {Structure and Vibrations of the CF$_3$NO Molecule in the Ground and Lowest Excited Electronic States: A Test of Ab Initio Methods},
-	Url = {http://dx.doi.org/10.1002/qua.20186},
-	Volume = {100},
-	Year = {2004},
+	author = {Dolgov, Eugeniy K. and Bataev, Vadim A. and Pupyshev, Vladimir I. and Godunov, Igor A.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/qua.20186},
+	issn = {1097-461X},
+	journal = {Int. J. Quantum Chem.},
+	keywords = {excited electronic states, CASSCF, MR-CI, MR-AQCC, VibSCF},
+	number = {4},
+	pages = {509--518},
+	publisher = {John Wiley & Sons, Inc.},
+	title = {Structure and Vibrations of the CF$_3$NO Molecule in the Ground and Lowest Excited Electronic States: A Test of Ab Initio Methods},
+	url = {http://dx.doi.org/10.1002/qua.20186},
+	volume = {100},
+	year = {2004},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1002/qua.20186}}
 
 @article{Dreuw_2003,
-	Author = {Dreuw, Andreas and Weisman, Jennifer L. and {Head-Gordon}, Martin},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.1590951},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = aug,
-	Number = {6},
-	Pages = {2943-2946},
-	Title = {Long-Range Charge-Transfer Excited States in Time-Dependent Density Functional Theory Require Non-Local Exchange},
-	Volume = {119},
-	Year = {2003},
+	author = {Dreuw, Andreas and Weisman, Jennifer L. and {Head-Gordon}, Martin},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.1590951},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = aug,
+	number = {6},
+	pages = {2943-2946},
+	title = {Long-Range Charge-Transfer Excited States in Time-Dependent Density Functional Theory Require Non-Local Exchange},
+	volume = {119},
+	year = {2003},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1590951}}
 
 @article{Dreuw_2004,
-	Author = {Dreuw, Andreas and Head-Gordon, Martin},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/ja039556n},
-	File = {/Users/loos/Zotero/storage/TSG4VHAB/Dreuw and Head-Gordon - 2004 - Failure of Time-Dependent Density Functional Theor.pdf},
-	Issn = {0002-7863, 1520-5126},
-	Journal = {J. Am. Chem. Soc.},
-	Language = {en},
-	Month = mar,
-	Number = {12},
-	Pages = {4007-4016},
-	Shorttitle = {Failure of {{Time}}-{{Dependent Density Functional Theory}} for {{Long}}-{{Range Charge}}-{{Transfer Excited States}}},
-	Title = {Failure of {{Time}}-{{Dependent Density Functional Theory}} for {{Long}}-{{Range Charge}}-{{Transfer Excited States}}: {{The Zincbacteriochlorin}}-{{Bacteriochlorin}} and {{Bacteriochlorophyll}}-{{Spheroidene Complexes}}},
-	Volume = {126},
-	Year = {2004},
+	author = {Dreuw, Andreas and Head-Gordon, Martin},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/ja039556n},
+	file = {/Users/loos/Zotero/storage/TSG4VHAB/Dreuw and Head-Gordon - 2004 - Failure of Time-Dependent Density Functional Theor.pdf},
+	issn = {0002-7863, 1520-5126},
+	journal = {J. Am. Chem. Soc.},
+	language = {en},
+	month = mar,
+	number = {12},
+	pages = {4007-4016},
+	shorttitle = {Failure of {{Time}}-{{Dependent Density Functional Theory}} for {{Long}}-{{Range Charge}}-{{Transfer Excited States}}},
+	title = {Failure of {{Time}}-{{Dependent Density Functional Theory}} for {{Long}}-{{Range Charge}}-{{Transfer Excited States}}: {{The Zincbacteriochlorin}}-{{Bacteriochlorin}} and {{Bacteriochlorophyll}}-{{Spheroidene Complexes}}},
+	volume = {126},
+	year = {2004},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ja039556n}}
 
 @article{Drowart_1967,
-	Author = {J. Drowart and A. Pattoret and S. Smoes},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Proc. Br. Ceram. Soc.},
-	Pages = {67−88},
-	Title = {Mass Spectrometric Studies of the Vaporization of Refractory Compounds},
-	Volume = {8},
-	Year = {1967}}
+	author = {J. Drowart and A. Pattoret and S. Smoes},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Proc. Br. Ceram. Soc.},
+	pages = {67−88},
+	title = {Mass Spectrometric Studies of the Vaporization of Refractory Compounds},
+	volume = {8},
+	year = {1967}}
 
 @article{Dubeck__2016,
-	Author = {Dubeck{\'y}, Mat{\'u}{\v s} and Mit\'a\v{s}, Lubos and Jure{\v c}ka, Petr},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/acs.chemrev.5b00577},
-	Issn = {1520-6890},
-	Journal = {Chem. Rev.},
-	Month = {May},
-	Number = {9},
-	Pages = {5188--5215},
-	Publisher = {American Chemical Society (ACS)},
-	Title = {Noncovalent Interactions by Quantum Monte Carlo},
-	Url = {http://dx.doi.org/10.1021/acs.chemrev.5b00577},
-	Volume = {116},
-	Year = {2016},
+	author = {Dubeck{\'y}, Mat{\'u}{\v s} and Mit\'a\v{s}, Lubos and Jure{\v c}ka, Petr},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/acs.chemrev.5b00577},
+	issn = {1520-6890},
+	journal = {Chem. Rev.},
+	month = {May},
+	number = {9},
+	pages = {5188--5215},
+	publisher = {American Chemical Society (ACS)},
+	title = {Noncovalent Interactions by Quantum Monte Carlo},
+	url = {http://dx.doi.org/10.1021/acs.chemrev.5b00577},
+	volume = {116},
+	year = {2016},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1021/acs.chemrev.5b00577}}
 
 @article{Dubecky_2010,
-	Author = {Dubeck{\'y}, M. and Derian, R. and Mitas, L. and {\v S}tich, I.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.3506028},
-	File = {/Users/loos/Zotero/storage/CRWWWYSF/Dubeck{\'y} et al. - 2010 - Ground and excited electronic states of azobenzene.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = dec,
-	Number = {24},
-	Pages = {244301},
-	Shorttitle = {Ground and Excited Electronic States of Azobenzene},
-	Title = {Ground and Excited Electronic States of Azobenzene: {{A}} Quantum {{Monte Carlo}} Study},
-	Volume = {133},
-	Year = {2010},
+	author = {Dubeck{\'y}, M. and Derian, R. and Mitas, L. and {\v S}tich, I.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.3506028},
+	file = {/Users/loos/Zotero/storage/CRWWWYSF/Dubeck{\'y} et al. - 2010 - Ground and excited electronic states of azobenzene.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = dec,
+	number = {24},
+	pages = {244301},
+	shorttitle = {Ground and Excited Electronic States of Azobenzene},
+	title = {Ground and Excited Electronic States of Azobenzene: {{A}} Quantum {{Monte Carlo}} Study},
+	volume = {133},
+	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3506028}}
 
 @article{Dumont_2008b,
-	Author = {Dumont, Elise and Loos, Pierre-Fran{\c c}ois and Laurent, Ad\`ele D. and Assfeld, Xavier},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/ct800161m},
-	File = {/Users/loos/Zotero/storage/AU5GAG48/13.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = aug,
-	Number = {8},
-	Pages = {1171-1173},
-	Title = {Huge {{Disulfide}}-{{Linkage}}'{{S Electron Capture Variation Induced}} by $\alpha$-{{Helix Orientation}}},
-	Volume = {4},
-	Year = {2008},
+	author = {Dumont, Elise and Loos, Pierre-Fran{\c c}ois and Laurent, Ad\`ele D. and Assfeld, Xavier},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/ct800161m},
+	file = {/Users/loos/Zotero/storage/AU5GAG48/13.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = aug,
+	number = {8},
+	pages = {1171-1173},
+	title = {Huge {{Disulfide}}-{{Linkage}}'{{S Electron Capture Variation Induced}} by $\alpha$-{{Helix Orientation}}},
+	volume = {4},
+	year = {2008},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct800161m}}
 
 @article{Dumont_2009,
-	Author = {Dumont, \'Elise and Laurent, Ad\`ele D. and Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/ct900093h},
-	File = {/Users/loos/Zotero/storage/DXBEWEYC/15.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = jun,
-	Number = {6},
-	Pages = {1700-1708},
-	Title = {Analyzing the {{Selectivity}} and {{Successiveness}} of a {{Two}}-{{Electron Capture}} on a {{Multiply Disulfide}}-{{Linked Protein}}},
-	Volume = {5},
-	Year = {2009},
+	author = {Dumont, \'Elise and Laurent, Ad\`ele D. and Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/ct900093h},
+	file = {/Users/loos/Zotero/storage/DXBEWEYC/15.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = jun,
+	number = {6},
+	pages = {1700-1708},
+	title = {Analyzing the {{Selectivity}} and {{Successiveness}} of a {{Two}}-{{Electron Capture}} on a {{Multiply Disulfide}}-{{Linked Protein}}},
+	volume = {5},
+	year = {2009},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct900093h}}
 
 @article{Dumont_2010,
-	Author = {Dumont, \~A‰lise and Loos, Pierre-Fran\~A\textsection{}ois and Laurent, Ad\~A\textasciidieresis{}le D. and Assfeld, Xavier},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/qua.22072},
-	File = {/Users/loos/Zotero/storage/4VG63LZM/20.pdf},
-	Issn = {00207608, 1097461X},
-	Journal = {Int. J. Quantum Chem.},
-	Language = {en},
-	Month = mar,
-	Number = {3},
-	Pages = {513-523},
-	Title = {Electronic Effects and Ring Strain Influences on the Electron Uptake by Selenium-Containing Bonds},
-	Volume = {110},
-	Year = {2010},
+	author = {Dumont, \~A‰lise and Loos, Pierre-Fran\~A\textsection{}ois and Laurent, Ad\~A\textasciidieresis{}le D. and Assfeld, Xavier},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/qua.22072},
+	file = {/Users/loos/Zotero/storage/4VG63LZM/20.pdf},
+	issn = {00207608, 1097461X},
+	journal = {Int. J. Quantum Chem.},
+	language = {en},
+	month = mar,
+	number = {3},
+	pages = {513-523},
+	title = {Electronic Effects and Ring Strain Influences on the Electron Uptake by Selenium-Containing Bonds},
+	volume = {110},
+	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1002/qua.22072}}
 
 @article{Dupuy_2015,
-	Author = {Dupuy, Nicolas and Bouaouli, Samira and Mauri, Francesco and Sorella, Sandro and Casula, Michele},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4922048},
-	File = {/Users/loos/Zotero/storage/EQRHVUV2/Dupuy et al. - 2015 - Vertical and adiabatic excitations in anthracene f.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = jun,
-	Number = {21},
-	Pages = {214109},
-	Shorttitle = {Vertical and Adiabatic Excitations in Anthracene from Quantum {{Monte Carlo}}},
-	Title = {Vertical and Adiabatic Excitations in Anthracene from Quantum {{Monte Carlo}}: {{Constrained}} Energy Minimization for Structural and Electronic Excited-State Properties in the {{JAGP}} Ansatz},
-	Volume = {142},
-	Year = {2015},
+	author = {Dupuy, Nicolas and Bouaouli, Samira and Mauri, Francesco and Sorella, Sandro and Casula, Michele},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4922048},
+	file = {/Users/loos/Zotero/storage/EQRHVUV2/Dupuy et al. - 2015 - Vertical and adiabatic excitations in anthracene f.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = jun,
+	number = {21},
+	pages = {214109},
+	shorttitle = {Vertical and Adiabatic Excitations in Anthracene from Quantum {{Monte Carlo}}},
+	title = {Vertical and Adiabatic Excitations in Anthracene from Quantum {{Monte Carlo}}: {{Constrained}} Energy Minimization for Structural and Electronic Excited-State Properties in the {{JAGP}} Ansatz},
+	volume = {142},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4922048}}
 
 @article{Durig_1984,
-	Author = {Durig, J.R. and Whang, C.M. and Attia, G.M. and Li, Y.S.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/0022-2852(84)90182-6},
-	Issn = {00222852},
-	Journal = {J. Mol. Spectrosc.},
-	Language = {en},
-	Month = dec,
-	Number = {2},
-	Pages = {240-248},
-	Title = {Microwave Spectra, Structure, and Barrier to Internal Rotation of {{CH3SnH2D}}, {{CH3SnHD2}} and {{CH3SnD3}}},
-	Volume = {108},
-	Year = {1984},
+	author = {Durig, J.R. and Whang, C.M. and Attia, G.M. and Li, Y.S.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/0022-2852(84)90182-6},
+	issn = {00222852},
+	journal = {J. Mol. Spectrosc.},
+	language = {en},
+	month = dec,
+	number = {2},
+	pages = {240-248},
+	title = {Microwave Spectra, Structure, and Barrier to Internal Rotation of {{CH3SnH2D}}, {{CH3SnHD2}} and {{CH3SnD3}}},
+	volume = {108},
+	year = {1984},
 	Bdsk-Url-1 = {https://doi.org/10.1016/0022-2852(84)90182-6}}
 
 @article{Dykstra_1977,
-	Author = {Dykstra, Clifford E. and Lucchese, Robert R. and Schaefer, Henry F.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.435214},
-	Issn = {00219606},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Number = {6},
-	Pages = {2422},
-	Title = {Electron Correlation Effects on the Excitation Energies of the Lowest Triplet States of Glyoxal},
-	Volume = {67},
-	Year = {1977},
+	author = {Dykstra, Clifford E. and Lucchese, Robert R. and Schaefer, Henry F.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.435214},
+	issn = {00219606},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	number = {6},
+	pages = {2422},
+	title = {Electron Correlation Effects on the Excitation Energies of the Lowest Triplet States of Glyoxal},
+	volume = {67},
+	year = {1977},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.435214}}
 
 @article{Dykstra_1977a,
-	Author = {Dykstra, Clifford E. and Lucchese, Robert R. and Schaefer, Henry F.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.435214},
-	Issn = {00219606},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Number = {6},
-	Pages = {2422},
-	Title = {Electron Correlation Effects on the Excitation Energies of the Lowest Triplet States of Glyoxal},
-	Volume = {67},
-	Year = {1977},
+	author = {Dykstra, Clifford E. and Lucchese, Robert R. and Schaefer, Henry F.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.435214},
+	issn = {00219606},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	number = {6},
+	pages = {2422},
+	title = {Electron Correlation Effects on the Excitation Energies of the Lowest Triplet States of Glyoxal},
+	volume = {67},
+	year = {1977},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.435214}}
 
 @article{Dzubak_2017,
-	Author = {Dzubak, Allison L. and Krogel, Jaron T. and Reboredo, Fernando A.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4991414},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Jul},
-	Number = {2},
-	Pages = {024102},
-	Publisher = {AIP Publishing},
-	Title = {Quantitative estimation of localization errors of 3d transition metal pseudopotentials in diffusion Monte Carlo},
-	Url = {http://dx.doi.org/10.1063/1.4991414},
-	Volume = {147},
-	Year = {2017},
+	author = {Dzubak, Allison L. and Krogel, Jaron T. and Reboredo, Fernando A.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4991414},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Jul},
+	number = {2},
+	pages = {024102},
+	publisher = {AIP Publishing},
+	title = {Quantitative estimation of localization errors of 3d transition metal pseudopotentials in diffusion Monte Carlo},
+	url = {http://dx.doi.org/10.1063/1.4991414},
+	volume = {147},
+	year = {2017},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4991414}}
 
 @article{Ehara_2011,
-	Author = {Ehara, Masahiro and Oyagi, Fumito and Abe, Yoko and Fukuda, Ryoichi and Nakatsuji, Hiroshi},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.3617233},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = jul,
-	Number = {4},
-	Pages = {044316},
-	Title = {Excited-State Geometries and Vibrational Frequencies Studied Using the Analytical Energy Gradients of the Direct Symmetry-Adapted Cluster\textendash{}Configuration Interaction Method. {{I}}. {{HAX}}-Type Molecules},
-	Volume = {135},
-	Year = {2011},
+	author = {Ehara, Masahiro and Oyagi, Fumito and Abe, Yoko and Fukuda, Ryoichi and Nakatsuji, Hiroshi},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.3617233},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = jul,
+	number = {4},
+	pages = {044316},
+	title = {Excited-State Geometries and Vibrational Frequencies Studied Using the Analytical Energy Gradients of the Direct Symmetry-Adapted Cluster\textendash{}Configuration Interaction Method. {{I}}. {{HAX}}-Type Molecules},
+	volume = {135},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3617233}}
 
 @article{Elliott_2011,
-	Author = {Elliott, Peter and Goldson, Sharma and Canahui, Chris and Maitra, Neepa T.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/j.chemphys.2011.03.020},
-	File = {/Users/loos/Zotero/storage/U6T3LQ8L/Elliott et al. - 2011 - Perspectives on double-excitations in TDDFT.pdf},
-	Issn = {03010104},
-	Journal = {Chem. Phys.},
-	Language = {en},
-	Month = nov,
-	Number = {1},
-	Pages = {110-119},
-	Title = {Perspectives on Double-Excitations in {{TDDFT}}},
-	Volume = {391},
-	Year = {2011},
+	author = {Elliott, Peter and Goldson, Sharma and Canahui, Chris and Maitra, Neepa T.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/j.chemphys.2011.03.020},
+	file = {/Users/loos/Zotero/storage/U6T3LQ8L/Elliott et al. - 2011 - Perspectives on double-excitations in TDDFT.pdf},
+	issn = {03010104},
+	journal = {Chem. Phys.},
+	language = {en},
+	month = nov,
+	number = {1},
+	pages = {110-119},
+	title = {Perspectives on Double-Excitations in {{TDDFT}}},
+	volume = {391},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1016/j.chemphys.2011.03.020}}
 
 @article{Ernsting_1978,
-	Author = {Ernsting, Nikolaus P. and Pfab, Josef and Romelt, Joachim},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1039/F29787402286},
-	Issue = {0},
-	Journal = {J. Chem. Soc.{,} Faraday Trans. 2},
-	Pages = {2286--2294},
-	Publisher = {The Royal Society of Chemistry},
-	Title = {Geometry Changes Accompanying Electronic Excitation of Nitrosomethane in the 650 nm Region},
-	Url = {http://dx.doi.org/10.1039/F29787402286},
-	Volume = {74},
-	Year = {1978},
+	author = {Ernsting, Nikolaus P. and Pfab, Josef and Romelt, Joachim},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1039/F29787402286},
+	issue = {0},
+	journal = {J. Chem. Soc.{,} Faraday Trans. 2},
+	pages = {2286--2294},
+	publisher = {The Royal Society of Chemistry},
+	title = {Geometry Changes Accompanying Electronic Excitation of Nitrosomethane in the 650 nm Region},
+	url = {http://dx.doi.org/10.1039/F29787402286},
+	volume = {74},
+	year = {1978},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1039/F29787402286}}
 
 @article{Evangelista_2014,
-	Author = {Evangelista, Francesco A.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4869192},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Mar},
-	Number = {12},
-	Pages = {124114},
-	Publisher = {AIP Publishing},
-	Title = {Adaptive multiconfigurational wave functions},
-	Url = {http://dx.doi.org/10.1063/1.4869192},
-	Volume = {140},
-	Year = {2014},
+	author = {Evangelista, Francesco A.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4869192},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Mar},
+	number = {12},
+	pages = {124114},
+	publisher = {AIP Publishing},
+	title = {Adaptive multiconfigurational wave functions},
+	url = {http://dx.doi.org/10.1063/1.4869192},
+	volume = {140},
+	year = {2014},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4869192}}
 
 @article{Evangelisti_1983,
-	Author = {Evangelisti, Stefano and Daudey, Jean-Pierre and Malrieu, Jean-Paul},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/0301-0104(83)85011-3},
-	Issn = {0301-0104},
-	Journal = {Chem. Phys.},
-	Month = {Feb},
-	Number = {1},
-	Pages = {91--102},
-	Publisher = {Elsevier BV},
-	Title = {Convergence of an improved CIPSI algorithm},
-	Url = {http://dx.doi.org/10.1016/0301-0104(83)85011-3},
-	Volume = {75},
-	Year = {1983},
+	author = {Evangelisti, Stefano and Daudey, Jean-Pierre and Malrieu, Jean-Paul},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/0301-0104(83)85011-3},
+	issn = {0301-0104},
+	journal = {Chem. Phys.},
+	month = {Feb},
+	number = {1},
+	pages = {91--102},
+	publisher = {Elsevier BV},
+	title = {Convergence of an improved CIPSI algorithm},
+	url = {http://dx.doi.org/10.1016/0301-0104(83)85011-3},
+	volume = {75},
+	year = {1983},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1016/0301-0104(83)85011-3}}
 
 @article{Fahy_1990,
-	Author = {Fahy, S. and Wang, X. W. and Louie, Steven G.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevB.42.3503},
-	Journal = {Phys. Rev. B},
-	Month = aug,
-	Number = {6},
-	Pages = {3503--3522},
-	Shorttitle = {Variational Quantum {{Monte Carlo}} Nonlocal Pseudopotential Approach to Solids},
-	Timestamp = {2017-11-16T10:54:00Z},
-	Title = {Variational Quantum {{Monte Carlo}} Nonlocal Pseudopotential Approach to Solids: {{Formulation}} and Application to Diamond, Graphite, and Silicon},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.42.3503},
-	Volume = {42},
-	Year = {1990},
+	author = {Fahy, S. and Wang, X. W. and Louie, Steven G.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevB.42.3503},
+	journal = {Phys. Rev. B},
+	month = aug,
+	number = {6},
+	pages = {3503--3522},
+	shorttitle = {Variational Quantum {{Monte Carlo}} Nonlocal Pseudopotential Approach to Solids},
+	timestamp = {2017-11-16T10:54:00Z},
+	title = {Variational Quantum {{Monte Carlo}} Nonlocal Pseudopotential Approach to Solids: {{Formulation}} and Application to Diamond, Graphite, and Silicon},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.42.3503},
+	volume = {42},
+	year = {1990},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.42.3503},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.42.3503}}
 
 @article{Feller_2014,
-	Author = {David Feller and Kirk A. Peterson and Ernest R. Davidson},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4894482},
-	Eprint = {http://dx.doi.org/10.1063/1.4894482},
-	Journal = {J. Chem. Phys.},
-	Number = {10},
-	Pages = {104302},
-	Title = {A Systematic Approach to Vertically Excited States of Ethylene Using Configuration Interaction and Coupled Cluster Techniques},
-	Url = {http://dx.doi.org/10.1063/1.4894482},
-	Volume = {141},
-	Year = {2014},
+	author = {David Feller and Kirk A. Peterson and Ernest R. Davidson},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4894482},
+	eprint = {http://dx.doi.org/10.1063/1.4894482},
+	journal = {J. Chem. Phys.},
+	number = {10},
+	pages = {104302},
+	title = {A Systematic Approach to Vertically Excited States of Ethylene Using Configuration Interaction and Coupled Cluster Techniques},
+	url = {http://dx.doi.org/10.1063/1.4894482},
+	volume = {141},
+	year = {2014},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4894482}}
 
 @article{Feng_2003,
-	Author = {Feng, Liang and van der Hart, Hugo W},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1088/0953-4075/36/1/101},
-	File = {/Users/loos/Zotero/storage/LKYCYUI2/Feng and Hart - 2003 - Two-photon double ionization of He.pdf},
-	Issn = {0953-4075},
-	Journal = {J. Phys. B},
-	Language = {en},
-	Month = jan,
-	Number = {1},
-	Pages = {L1-L7},
-	Title = {Two-Photon Double Ionization of {{He}}},
-	Volume = {36},
-	Year = {2003},
+	author = {Feng, Liang and van der Hart, Hugo W},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1088/0953-4075/36/1/101},
+	file = {/Users/loos/Zotero/storage/LKYCYUI2/Feng and Hart - 2003 - Two-photon double ionization of He.pdf},
+	issn = {0953-4075},
+	journal = {J. Phys. B},
+	language = {en},
+	month = jan,
+	number = {1},
+	pages = {L1-L7},
+	title = {Two-Photon Double Ionization of {{He}}},
+	volume = {36},
+	year = {2003},
 	Bdsk-Url-1 = {https://doi.org/10.1088/0953-4075/36/1/101}}
 
 @article{Filatov_1999,
-	Abstract = {The energy and density of situations with strong non-dynamic correlation are formulated as weighted sums {\v Z}ensembles. of energies and densities of symmetry-adapted reference KS determinants. A computational scheme termed the spin-restricted ensemble-referenced Kohn\textendash{}Sham {\v Z}REKS. method is devised for these cases. An optimal set of orthonormal one-electron orbitals and their optimal occupation numbers are obtained from minimization of the ground state energy with respect to the density. The REKS method is applied to several model problems, rotation in C2 H 4, dissociation of H 2, and the singlet-triplet energy gaps in substituted trimethylene diradicals. q 1999 Elsevier Science B.V. All rights reserved.},
-	Author = {Filatov, Michael and Shaik, Sason},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/S0009-2614(99)00336-X},
-	File = {/Users/loos/Zotero/storage/URSNLFXD/Filatov and Shaik - 1999 - A spin-restricted ensemble-referenced Kohn--Sham me.pdf},
-	Issn = {00092614},
-	Journal = {Chem. Phys. Lett.},
-	Language = {en},
-	Month = may,
-	Number = {5-6},
-	Pages = {429-437},
-	Title = {A Spin-Restricted Ensemble-Referenced {{Kohn}}\textendash{{Sham}} Method and Its Application to Diradicaloid Situations},
-	Volume = {304},
-	Year = {1999},
+	abstract = {The energy and density of situations with strong non-dynamic correlation are formulated as weighted sums {\v Z}ensembles. of energies and densities of symmetry-adapted reference KS determinants. A computational scheme termed the spin-restricted ensemble-referenced Kohn\textendash{}Sham {\v Z}REKS. method is devised for these cases. An optimal set of orthonormal one-electron orbitals and their optimal occupation numbers are obtained from minimization of the ground state energy with respect to the density. The REKS method is applied to several model problems, rotation in C2 H 4, dissociation of H 2, and the singlet-triplet energy gaps in substituted trimethylene diradicals. q 1999 Elsevier Science B.V. All rights reserved.},
+	author = {Filatov, Michael and Shaik, Sason},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/S0009-2614(99)00336-X},
+	file = {/Users/loos/Zotero/storage/URSNLFXD/Filatov and Shaik - 1999 - A spin-restricted ensemble-referenced Kohn--Sham me.pdf},
+	issn = {00092614},
+	journal = {Chem. Phys. Lett.},
+	language = {en},
+	month = may,
+	number = {5-6},
+	pages = {429-437},
+	title = {A Spin-Restricted Ensemble-Referenced {{Kohn}}\textendash{{Sham}} Method and Its Application to Diradicaloid Situations},
+	volume = {304},
+	year = {1999},
 	Bdsk-Url-1 = {https://doi.org/10.1016/S0009-2614(99)00336-X}}
 
 @article{Filatov_2015,
-	Author = {Filatov, Michael and {Huix-Rotllant}, Miquel and Burghardt, Irene},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4919773},
-	File = {/Users/loos/Zotero/storage/PC4HY8T5/Filatov et al. - 2015 - Ensemble density functional theory method correctl.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = may,
-	Number = {18},
-	Pages = {184104},
-	Title = {Ensemble Density Functional Theory Method Correctly Describes Bond Dissociation, Excited State Electron Transfer, and Double Excitations},
-	Volume = {142},
-	Year = {2015},
+	author = {Filatov, Michael and {Huix-Rotllant}, Miquel and Burghardt, Irene},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4919773},
+	file = {/Users/loos/Zotero/storage/PC4HY8T5/Filatov et al. - 2015 - Ensemble density functional theory method correctl.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = may,
+	number = {18},
+	pages = {184104},
+	title = {Ensemble Density Functional Theory Method Correctly Describes Bond Dissociation, Excited State Electron Transfer, and Double Excitations},
+	volume = {142},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4919773}}
 
 @inbook{Filatov_2015b,
-	Abstract = {Ensemble density functional theory (DFT) is a novel time-independent formalism for obtaining excitation energies of many-body fermionic systems. A considerable advantage of ensemble DFT over the more common Kohn\textendash{}Sham (KS) DFT and time-dependent DFT formalisms is that it enables one to account for strong non-dynamic electron correlation in the ground and excited states of molecular systems in a transparent and accurate fashion. Despite its positive aspects, ensemble DFT has not so far found its way into the repertoire of methods of modern computational chemistry, probably because of the perceived lack of practically affordable implementations of the theory. The spin-restricted ensemble-referenced KS (REKS) method is perhaps the first computationally feasible implementation of the ideas behind ensemble DFT which enables one to describe accurately electronic transitions in a wide class of molecular systems, including strongly correlated molecules (biradicals, molecules undergoing bond breaking/formation), extended $\pi$-conjugated systems, donor\textendash{}acceptor charge transfer adducts, etc.},
-	Address = {Cham},
-	Author = {Filatov, Michael},
-	Booktitle = {Density-{{Functional Methods}} for {{Excited States}}},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1007/128_2015_630},
-	Editor = {Ferr\'e, Nicolas and Filatov, Michael and {Huix-Rotllant}, Miquel},
-	File = {/Users/loos/Zotero/storage/IL7CHRFF/Filatov - 2015 - Ensemble DFT Approach to Excited States of Strongl.pdf},
-	Isbn = {978-3-319-22080-2 978-3-319-22081-9},
-	Pages = {97-124},
-	Publisher = {{Springer International Publishing}},
-	Title = {Ensemble {{DFT Approach}} to {{Excited States}} of {{Strongly Correlated Molecular Systems}}},
-	Volume = {368},
-	Year = {2015},
+	abstract = {Ensemble density functional theory (DFT) is a novel time-independent formalism for obtaining excitation energies of many-body fermionic systems. A considerable advantage of ensemble DFT over the more common Kohn\textendash{}Sham (KS) DFT and time-dependent DFT formalisms is that it enables one to account for strong non-dynamic electron correlation in the ground and excited states of molecular systems in a transparent and accurate fashion. Despite its positive aspects, ensemble DFT has not so far found its way into the repertoire of methods of modern computational chemistry, probably because of the perceived lack of practically affordable implementations of the theory. The spin-restricted ensemble-referenced KS (REKS) method is perhaps the first computationally feasible implementation of the ideas behind ensemble DFT which enables one to describe accurately electronic transitions in a wide class of molecular systems, including strongly correlated molecules (biradicals, molecules undergoing bond breaking/formation), extended $\pi$-conjugated systems, donor\textendash{}acceptor charge transfer adducts, etc.},
+	address = {Cham},
+	author = {Filatov, Michael},
+	booktitle = {Density-{{Functional Methods}} for {{Excited States}}},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1007/128_2015_630},
+	editor = {Ferr\'e, Nicolas and Filatov, Michael and {Huix-Rotllant}, Miquel},
+	file = {/Users/loos/Zotero/storage/IL7CHRFF/Filatov - 2015 - Ensemble DFT Approach to Excited States of Strongl.pdf},
+	isbn = {978-3-319-22080-2 978-3-319-22081-9},
+	pages = {97-124},
+	publisher = {{Springer International Publishing}},
+	title = {Ensemble {{DFT Approach}} to {{Excited States}} of {{Strongly Correlated Molecular Systems}}},
+	volume = {368},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1007/128_2015_630}}
 
 @article{Filatov_2015c,
-	Author = {Filatov, Michael},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/wcms.1209},
-	File = {/Users/loos/Zotero/storage/5BSWZ5ZF/Filatov - 2015 - Spin-restricted ensemble-referenced Kohn-Sham meth.pdf},
-	Issn = {17590876},
-	Journal = {WIREs Comput. Mol. Sci.},
-	Language = {en},
-	Month = jan,
-	Number = {1},
-	Pages = {146-167},
-	Shorttitle = {Spin-Restricted Ensemble-Referenced {{Kohn}}-{{Sham}} Method},
-	Title = {Spin-Restricted Ensemble-Referenced {{Kohn}}-{{Sham}} Method: Basic Principles and Application to Strongly Correlated Ground and Excited States of Molecules},
-	Volume = {5},
-	Year = {2015},
+	author = {Filatov, Michael},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/wcms.1209},
+	file = {/Users/loos/Zotero/storage/5BSWZ5ZF/Filatov - 2015 - Spin-restricted ensemble-referenced Kohn-Sham meth.pdf},
+	issn = {17590876},
+	journal = {WIREs Comput. Mol. Sci.},
+	language = {en},
+	month = jan,
+	number = {1},
+	pages = {146-167},
+	shorttitle = {Spin-Restricted Ensemble-Referenced {{Kohn}}-{{Sham}} Method},
+	title = {Spin-Restricted Ensemble-Referenced {{Kohn}}-{{Sham}} Method: Basic Principles and Application to Strongly Correlated Ground and Excited States of Molecules},
+	volume = {5},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1002/wcms.1209}}
 
 @incollection{Filatov_2015d,
-	Abstract = {Ensemble density functional theory (DFT) is a novel time-independent formalism for obtaining excitation energies of many-body fermionic systems. A considerable advantage of ensemble DFT over the more common Kohn\textendash{}Sham (KS) DFT and time-dependent DFT formalisms is that it enables one to account for strong non-dynamic electron correlation in the ground and excited states of molecular systems in a transparent and accurate fashion. Despite its positive aspects, ensemble DFT has not so far found its way into the repertoire of methods of modern computational chemistry, probably because of the perceived lack of practically affordable implementations of the theory. The spin-restricted ensemble-referenced KS (REKS) method is perhaps the first computationally feasible implementation of the ideas behind ensemble DFT which enables one to describe accurately electronic transitions in a wide class of molecular systems, including strongly correlated molecules (biradicals, molecules undergoing bond breaking/formation), extended $\pi$-conjugated systems, donor\textendash{}acceptor charge transfer adducts, etc.},
-	Address = {Cham},
-	Author = {Filatov, Michael},
-	Booktitle = {Density-{{Functional Methods}} for {{Excited States}}},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1007/128_2015_630},
-	Editor = {Ferr\'e, Nicolas and Filatov, Michael and {Huix-Rotllant}, Miquel},
-	File = {/Users/loos/Zotero/storage/7MGLS9WA/Filatov - 2015 - Ensemble DFT Approach to Excited States of Strongl.pdf},
-	Isbn = {978-3-319-22080-2 978-3-319-22081-9},
-	Language = {en},
-	Pages = {97-124},
-	Publisher = {{Springer International Publishing}},
-	Title = {Ensemble {{DFT Approach}} to {{Excited States}} of {{Strongly Correlated Molecular Systems}}},
-	Volume = {368},
-	Year = {2015},
+	abstract = {Ensemble density functional theory (DFT) is a novel time-independent formalism for obtaining excitation energies of many-body fermionic systems. A considerable advantage of ensemble DFT over the more common Kohn\textendash{}Sham (KS) DFT and time-dependent DFT formalisms is that it enables one to account for strong non-dynamic electron correlation in the ground and excited states of molecular systems in a transparent and accurate fashion. Despite its positive aspects, ensemble DFT has not so far found its way into the repertoire of methods of modern computational chemistry, probably because of the perceived lack of practically affordable implementations of the theory. The spin-restricted ensemble-referenced KS (REKS) method is perhaps the first computationally feasible implementation of the ideas behind ensemble DFT which enables one to describe accurately electronic transitions in a wide class of molecular systems, including strongly correlated molecules (biradicals, molecules undergoing bond breaking/formation), extended $\pi$-conjugated systems, donor\textendash{}acceptor charge transfer adducts, etc.},
+	address = {Cham},
+	author = {Filatov, Michael},
+	booktitle = {Density-{{Functional Methods}} for {{Excited States}}},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1007/128_2015_630},
+	editor = {Ferr\'e, Nicolas and Filatov, Michael and {Huix-Rotllant}, Miquel},
+	file = {/Users/loos/Zotero/storage/7MGLS9WA/Filatov - 2015 - Ensemble DFT Approach to Excited States of Strongl.pdf},
+	isbn = {978-3-319-22080-2 978-3-319-22081-9},
+	language = {en},
+	pages = {97-124},
+	publisher = {{Springer International Publishing}},
+	title = {Ensemble {{DFT Approach}} to {{Excited States}} of {{Strongly Correlated Molecular Systems}}},
+	volume = {368},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1007/128_2015_630}}
 
 @article{Filatov_2015e,
-	Author = {Filatov, Michael},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/wcms.1209},
-	File = {/Users/loos/Zotero/storage/BEWPPY67/Filatov - 2015 - Spin-restricted ensemble-referenced Kohn-Sham meth.pdf},
-	Issn = {17590876},
-	Journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
-	Language = {en},
-	Month = jan,
-	Number = {1},
-	Pages = {146-167},
-	Shorttitle = {Spin-Restricted Ensemble-Referenced {{Kohn}}-{{Sham}} Method},
-	Title = {Spin-Restricted Ensemble-Referenced {{Kohn}}-{{Sham}} Method: Basic Principles and Application to Strongly Correlated Ground and Excited States of Molecules},
-	Volume = {5},
-	Year = {2015},
+	author = {Filatov, Michael},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/wcms.1209},
+	file = {/Users/loos/Zotero/storage/BEWPPY67/Filatov - 2015 - Spin-restricted ensemble-referenced Kohn-Sham meth.pdf},
+	issn = {17590876},
+	journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
+	language = {en},
+	month = jan,
+	number = {1},
+	pages = {146-167},
+	shorttitle = {Spin-Restricted Ensemble-Referenced {{Kohn}}-{{Sham}} Method},
+	title = {Spin-Restricted Ensemble-Referenced {{Kohn}}-{{Sham}} Method: Basic Principles and Application to Strongly Correlated Ground and Excited States of Molecules},
+	volume = {5},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1002/wcms.1209}}
 
 @article{Filatov_2015f,
-	Author = {Filatov, Michael and {Huix-Rotllant}, Miquel and Burghardt, Irene},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4919773},
-	File = {/Users/loos/Zotero/storage/HEEF3N7Y/Filatov et al. - 2015 - Ensemble density functional theory method correctl.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = may,
-	Number = {18},
-	Pages = {184104},
-	Title = {Ensemble Density Functional Theory Method Correctly Describes Bond Dissociation, Excited State Electron Transfer, and Double Excitations},
-	Volume = {142},
-	Year = {2015},
+	author = {Filatov, Michael and {Huix-Rotllant}, Miquel and Burghardt, Irene},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4919773},
+	file = {/Users/loos/Zotero/storage/HEEF3N7Y/Filatov et al. - 2015 - Ensemble density functional theory method correctl.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = may,
+	number = {18},
+	pages = {184104},
+	title = {Ensemble Density Functional Theory Method Correctly Describes Bond Dissociation, Excited State Electron Transfer, and Double Excitations},
+	volume = {142},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4919773}}
 
 @article{Filippi_2016,
-	Author = {Guareschi, Riccardo and Zulfikri, Habiburrahman and Daday, Csaba and Floris, Franca Maria and Amovilli, Claudio and Mennucci, Benedetta and Filippi, Claudia},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/acs.jctc.6b00044},
-	Journal = {J. Chem. Theory Comput.},
-	Note = {PMID: 26959751},
-	Number = {4},
-	Pages = {1674-1683},
-	Title = {Introducing QMC/MMpol: Quantum Monte Carlo in Polarizable Force Fields for Excited States},
-	Url = {http://dx.doi.org/10.1021/acs.jctc.6b00044},
-	Volume = {12},
-	Year = {2016},
+	author = {Guareschi, Riccardo and Zulfikri, Habiburrahman and Daday, Csaba and Floris, Franca Maria and Amovilli, Claudio and Mennucci, Benedetta and Filippi, Claudia},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/acs.jctc.6b00044},
+	journal = {J. Chem. Theory Comput.},
+	note = {PMID: 26959751},
+	number = {4},
+	pages = {1674-1683},
+	title = {Introducing QMC/MMpol: Quantum Monte Carlo in Polarizable Force Fields for Excited States},
+	url = {http://dx.doi.org/10.1021/acs.jctc.6b00044},
+	volume = {12},
+	year = {2016},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1021/acs.jctc.6b00044}}
 
 @article{Flicker_1977,
-	Author = {Flicker, Wayne M. and Mosher, Oren A. and Kuppermann, Aron},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/0009-2614(77)80073-0},
-	Issn = {00092614},
-	Journal = {Chem. Phys. Lett.},
-	Language = {en},
-	Month = feb,
-	Number = {3},
-	Pages = {492-497},
-	Title = {Low Energy, Variable Angle Electron-Impact Excitation of 1,3,5-Hexatriene},
-	Volume = {45},
-	Year = {1977},
+	author = {Flicker, Wayne M. and Mosher, Oren A. and Kuppermann, Aron},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/0009-2614(77)80073-0},
+	issn = {00092614},
+	journal = {Chem. Phys. Lett.},
+	language = {en},
+	month = feb,
+	number = {3},
+	pages = {492-497},
+	title = {Low Energy, Variable Angle Electron-Impact Excitation of 1,3,5-Hexatriene},
+	volume = {45},
+	year = {1977},
 	Bdsk-Url-1 = {https://doi.org/10.1016/0009-2614(77)80073-0}}
 
 @article{Flscher_1994,
-	Author = {Fulscher, M. P. and Roos, B. O.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1007/BF01113393},
-	Issn = {0040-5744, 1432-2234},
-	Journal = {Theor. Chem. Acc.},
-	Language = {en},
-	Month = jan,
-	Number = {4-5},
-	Pages = {403-413},
-	Shorttitle = {The Excited States of Pyrazine},
-	Title = {The Excited States of Pyrazine: {{A}} Basis Set Study},
-	Volume = {87},
-	Year = {1994},
+	author = {Fulscher, M. P. and Roos, B. O.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1007/BF01113393},
+	issn = {0040-5744, 1432-2234},
+	journal = {Theor. Chem. Acc.},
+	language = {en},
+	month = jan,
+	number = {4-5},
+	pages = {403-413},
+	shorttitle = {The Excited States of Pyrazine},
+	title = {The Excited States of Pyrazine: {{A}} Basis Set Study},
+	volume = {87},
+	year = {1994},
 	Bdsk-Url-1 = {https://doi.org/10.1007/BF01113393}}
 
 @article{Fogler_2005a,
-	Author = {M. M. Fogler},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.94.056405},
-	Journal = {Phys. Rev. Lett.},
-	Pages = {056405},
-	Title = {Ground-State Energy of the Electron Liquid in Ultrathin Wires},
-	Volume = {94},
-	Year = {2005},
+	author = {M. M. Fogler},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.94.056405},
+	journal = {Phys. Rev. Lett.},
+	pages = {056405},
+	title = {Ground-State Energy of the Electron Liquid in Ultrathin Wires},
+	volume = {94},
+	year = {2005},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.94.056405}}
 
 @article{Fogler_2005b,
-	Author = {Fogler, Michael M. and Pivovarov, Eugene},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Issue = {19},
-	Journal = {Phys. Rev. B},
-	Numpages = {11},
-	Pages = {195344},
-	Publisher = {American Physical Society},
-	Volume = {72},
-	Year = {2005}}
+	author = {Fogler, Michael M. and Pivovarov, Eugene},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	issue = {19},
+	journal = {Phys. Rev. B},
+	numpages = {11},
+	pages = {195344},
+	publisher = {American Physical Society},
+	volume = {72},
+	year = {2005}}
 
 @article{Fogler_2006,
-	Author = {Fogler, Michael M. and Pivovarov, Eugene},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {J. Phys.: Condens. Matter},
-	Pages = {L7},
-	Volume = {18},
-	Year = {2006}}
+	author = {Fogler, Michael M. and Pivovarov, Eugene},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {J. Phys.: Condens. Matter},
+	pages = {L7},
+	volume = {18},
+	year = {2006}}
 
 @article{Foresman_1992b,
-	Author = {Foresman, J. B. and Head-Gordon, M. and Pople, J. A. and Frisch, M. J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {J. Phys. Chem.},
-	Pages = {135--149},
-	Title = {Toward a Systematic Molecular Orbital Theory for Excited States},
-	Volume = 96,
-	Year = 1992}
+	author = {Foresman, J. B. and Head-Gordon, M. and Pople, J. A. and Frisch, M. J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {J. Phys. Chem.},
+	pages = {135--149},
+	title = {Toward a Systematic Molecular Orbital Theory for Excited States},
+	volume = 96,
+	year = 1992}
 
 @article{Fornili_2006,
-	Author = {Fornili, Arianna and Loos, Pierre-Fran{\c c}ois and Sironi, Maurizio and Assfeld, Xavier},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/j.cplett.2006.06.095},
-	File = {/Users/loos/Zotero/storage/28RWJAZ8/2.pdf},
-	Issn = {00092614},
-	Journal = {Chem. Phys. Lett.},
-	Language = {en},
-	Month = aug,
-	Number = {1-3},
-	Pages = {236-240},
-	Title = {Frozen Core Orbitals as an Alternative to Specific Frontier Bond Potential in Hybrid {{Quantum Mechanics}}/{{Molecular Mechanics}} Methods},
-	Volume = {427},
-	Year = {2006},
+	author = {Fornili, Arianna and Loos, Pierre-Fran{\c c}ois and Sironi, Maurizio and Assfeld, Xavier},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/j.cplett.2006.06.095},
+	file = {/Users/loos/Zotero/storage/28RWJAZ8/2.pdf},
+	issn = {00092614},
+	journal = {Chem. Phys. Lett.},
+	language = {en},
+	month = aug,
+	number = {1-3},
+	pages = {236-240},
+	title = {Frozen Core Orbitals as an Alternative to Specific Frontier Bond Potential in Hybrid {{Quantum Mechanics}}/{{Molecular Mechanics}} Methods},
+	volume = {427},
+	year = {2006},
 	Bdsk-Url-1 = {https://doi.org/10.1016/j.cplett.2006.06.095}}
 
 @article{Foulkes_1999,
-	Author = {Foulkes, W. M. C. and Hood, Randolph Q. and Needs, R. J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevB.60.4558},
-	File = {/Users/loos/Zotero/storage/QMKEBFZC/Foulkes et al. - 1999 - Symmetry constraints and variational principles in.pdf},
-	Issn = {0163-1829, 1095-3795},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = aug,
-	Number = {7},
-	Pages = {4558-4570},
-	Title = {Symmetry Constraints and Variational Principles in Diffusion Quantum {{Monte Carlo}} Calculations of Excited-State Energies},
-	Volume = {60},
-	Year = {1999},
+	author = {Foulkes, W. M. C. and Hood, Randolph Q. and Needs, R. J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevB.60.4558},
+	file = {/Users/loos/Zotero/storage/QMKEBFZC/Foulkes et al. - 1999 - Symmetry constraints and variational principles in.pdf},
+	issn = {0163-1829, 1095-3795},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = aug,
+	number = {7},
+	pages = {4558-4570},
+	title = {Symmetry Constraints and Variational Principles in Diffusion Quantum {{Monte Carlo}} Calculations of Excited-State Energies},
+	volume = {60},
+	year = {1999},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.60.4558}}
 
 @article{Franck_2014,
-	Author = {Franck, Odile and Fromager, Emmanuel},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1080/00268976.2013.858191},
-	File = {/Users/loos/Zotero/storage/MH52WCNZ/Franck and Fromager - 2014 - Generalised adiabatic connection in ensemble densi.pdf},
-	Issn = {0026-8976, 1362-3028},
-	Journal = {Mol. Phys.},
-	Language = {en},
-	Month = jun,
-	Number = {12},
-	Pages = {1684-1701},
-	Shorttitle = {Generalised Adiabatic Connection in Ensemble Density-Functional Theory for Excited States},
-	Title = {Generalised Adiabatic Connection in Ensemble Density-Functional Theory for Excited States: Example of the {{H}} {\textsubscript{2}} Molecule},
-	Volume = {112},
-	Year = {2014},
+	author = {Franck, Odile and Fromager, Emmanuel},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1080/00268976.2013.858191},
+	file = {/Users/loos/Zotero/storage/MH52WCNZ/Franck and Fromager - 2014 - Generalised adiabatic connection in ensemble densi.pdf},
+	issn = {0026-8976, 1362-3028},
+	journal = {Mol. Phys.},
+	language = {en},
+	month = jun,
+	number = {12},
+	pages = {1684-1701},
+	shorttitle = {Generalised Adiabatic Connection in Ensemble Density-Functional Theory for Excited States},
+	title = {Generalised Adiabatic Connection in Ensemble Density-Functional Theory for Excited States: Example of the {{H}} {\textsubscript{2}} Molecule},
+	volume = {112},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1080/00268976.2013.858191}}
 
 @article{Fridh_1972,
-	Author = {Fridh, C. and \AA{}sbrink, L. and Jonsson, B.\"o. and Lindholm, E.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/0020-7381(72)80032-9},
-	Issn = {00207381},
-	Journal = {Int. J. Mass Spect. Ion Phys.},
-	Language = {en},
-	Month = oct,
-	Number = {5},
-	Pages = {485-497},
-	Title = {Rydberg Series in Small Molecules},
-	Volume = {9},
-	Year = {1972},
+	author = {Fridh, C. and \AA{}sbrink, L. and Jonsson, B.\"o. and Lindholm, E.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/0020-7381(72)80032-9},
+	issn = {00207381},
+	journal = {Int. J. Mass Spect. Ion Phys.},
+	language = {en},
+	month = oct,
+	number = {5},
+	pages = {485-497},
+	title = {Rydberg Series in Small Molecules},
+	volume = {9},
+	year = {1972},
 	Bdsk-Url-1 = {https://doi.org/10.1016/0020-7381(72)80032-9}}
 
 @article{Fukuto_2005,
-	Author = {Fukuto, Jon M. and Switzer, Christopher H. and Miranda, Katrina M. and Wink, David A.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1146/annurev.pharmtox.45.120403.095959},
-	Issn = {0362-1642, 1545-4304},
-	Journal = {Annu. Rev. Pharmacol. Toxicol.},
-	Language = {en},
-	Month = feb,
-	Number = {1},
-	Pages = {335-355},
-	Shorttitle = {{{NITROXYL}} ({{HNO}})},
-	Title = {{{NITROXYL}} ({{HNO}}): {{Chemistry}}, {{Biochemistry}}, and {{Pharmacology}}},
-	Volume = {45},
-	Year = {2005},
+	author = {Fukuto, Jon M. and Switzer, Christopher H. and Miranda, Katrina M. and Wink, David A.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1146/annurev.pharmtox.45.120403.095959},
+	issn = {0362-1642, 1545-4304},
+	journal = {Annu. Rev. Pharmacol. Toxicol.},
+	language = {en},
+	month = feb,
+	number = {1},
+	pages = {335-355},
+	shorttitle = {{{NITROXYL}} ({{HNO}})},
+	title = {{{NITROXYL}} ({{HNO}}): {{Chemistry}}, {{Biochemistry}}, and {{Pharmacology}}},
+	volume = {45},
+	year = {2005},
 	Bdsk-Url-1 = {https://doi.org/10.1146/annurev.pharmtox.45.120403.095959}}
 
 @article{Fulscher_1992,
-	Author = {Fulscher, Markus P. and Andersson, Kerstin and Roos, Bjoern O.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/j100202a026},
-	Issn = {0022-3654, 1541-5740},
-	Journal = {J. Phys. Chem.},
-	Language = {en},
-	Month = nov,
-	Number = {23},
-	Pages = {9204-9212},
-	Shorttitle = {Toward an Accurate Molecular Orbital Theory for Excited States},
-	Title = {Toward an Accurate Molecular Orbital Theory for Excited States: The Azabenzenes},
-	Volume = {96},
-	Year = {1992},
+	author = {Fulscher, Markus P. and Andersson, Kerstin and Roos, Bjoern O.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/j100202a026},
+	issn = {0022-3654, 1541-5740},
+	journal = {J. Phys. Chem.},
+	language = {en},
+	month = nov,
+	number = {23},
+	pages = {9204-9212},
+	shorttitle = {Toward an Accurate Molecular Orbital Theory for Excited States},
+	title = {Toward an Accurate Molecular Orbital Theory for Excited States: The Azabenzenes},
+	volume = {96},
+	year = {1992},
 	Bdsk-Url-1 = {https://doi.org/10.1021/j100202a026}}
 
 @article{Galvez_2002,
-	Author = {G\'alvez, F. J. and Buend\i\'a, E. and Sarsa, A.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.1503776},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = oct,
-	Number = {13},
-	Pages = {6071-6082},
-	Title = {Excited States of Beryllium Atom from Explicitly Correlated Wave Functions},
-	Volume = {117},
-	Year = {2002},
+	author = {G\'alvez, F. J. and Buend\i\'a, E. and Sarsa, A.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.1503776},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = oct,
+	number = {13},
+	pages = {6071-6082},
+	title = {Excited States of Beryllium Atom from Explicitly Correlated Wave Functions},
+	volume = {117},
+	year = {2002},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1503776}}
 
 @article{Garniron_2017,
-	Author = {Garniron, Yann and Scemama, Anthony and Loos, Pierre-Fran{\c c}ois and Caffarel, Michel},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4992127},
-	File = {/Users/loos/Zotero/storage/NHU2BWMZ/57.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = jul,
-	Number = {3},
-	Pages = {034101},
-	Title = {Hybrid Stochastic-Deterministic Calculation of the Second-Order Perturbative Contribution of Multireference Perturbation Theory},
-	Volume = {147},
-	Year = {2017},
+	author = {Garniron, Yann and Scemama, Anthony and Loos, Pierre-Fran{\c c}ois and Caffarel, Michel},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4992127},
+	file = {/Users/loos/Zotero/storage/NHU2BWMZ/57.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = jul,
+	number = {3},
+	pages = {034101},
+	title = {Hybrid Stochastic-Deterministic Calculation of the Second-Order Perturbative Contribution of Multireference Perturbation Theory},
+	volume = {147},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4992127}}
 
 @article{Garniron_2017a,
-	Author = {Garniron, Yann and Giner, Emmanuel and Malrieu, Jean-Paul and Scemama, Anthony},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4980034},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Apr},
-	Number = {15},
-	Pages = {154107},
-	Publisher = {AIP Publishing},
-	Title = {Alternative definition of excitation amplitudes in multi-reference state-specific coupled cluster},
-	Url = {http://dx.doi.org/10.1063/1.4980034},
-	Volume = {146},
-	Year = {2017},
+	author = {Garniron, Yann and Giner, Emmanuel and Malrieu, Jean-Paul and Scemama, Anthony},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4980034},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Apr},
+	number = {15},
+	pages = {154107},
+	publisher = {AIP Publishing},
+	title = {Alternative definition of excitation amplitudes in multi-reference state-specific coupled cluster},
+	url = {http://dx.doi.org/10.1063/1.4980034},
+	volume = {146},
+	year = {2017},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4980034}}
 
 @article{Garniron_2017b,
-	Author = {Garniron, Yann and Scemama, Anthony and Loos, Pierre-Fran{\c c}ois and Caffarel, Michel},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4992127},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Jul},
-	Number = {3},
-	Pages = {034101},
-	Publisher = {AIP Publishing},
-	Title = {Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory},
-	Url = {http://dx.doi.org/10.1063/1.4992127},
-	Volume = {147},
-	Year = {2017},
+	author = {Garniron, Yann and Scemama, Anthony and Loos, Pierre-Fran{\c c}ois and Caffarel, Michel},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4992127},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Jul},
+	number = {3},
+	pages = {034101},
+	publisher = {AIP Publishing},
+	title = {Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory},
+	url = {http://dx.doi.org/10.1063/1.4992127},
+	volume = {147},
+	year = {2017},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4992127}}
 
 @article{Garniron_2018,
-	Author = {Y. Garniron and A. Scemama and E. Giner and M. Caffarel and P. F. Loos},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {J. Chem. Phys.},
-	Pages = {064103},
-	Title = {Selected Configuration Interaction Dressed by Perturbation},
-	Volume = {149},
-	Year = {2018}}
+	author = {Y. Garniron and A. Scemama and E. Giner and M. Caffarel and P. F. Loos},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {J. Chem. Phys.},
+	pages = {064103},
+	title = {Selected Configuration Interaction Dressed by Perturbation},
+	volume = {149},
+	year = {2018}}
 
 @article{Garziano_2016,
-	Author = {Garziano, Luigi and Macr\`i, Vincenzo and Stassi, Roberto and Di Stefano, Omar and Nori, Franco and Savasta, Salvatore},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.117.043601},
-	File = {/Users/loos/Zotero/storage/L994UR4E/Garziano et al. - 2016 - One Photon Can Simultaneously Excite Two or More A.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = jul,
-	Number = {4},
-	Title = {One {{Photon Can Simultaneously Excite Two}} or {{More Atoms}}},
-	Volume = {117},
-	Year = {2016},
+	author = {Garziano, Luigi and Macr\`i, Vincenzo and Stassi, Roberto and Di Stefano, Omar and Nori, Franco and Savasta, Salvatore},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.117.043601},
+	file = {/Users/loos/Zotero/storage/L994UR4E/Garziano et al. - 2016 - One Photon Can Simultaneously Excite Two or More A.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = jul,
+	number = {4},
+	title = {One {{Photon Can Simultaneously Excite Two}} or {{More Atoms}}},
+	volume = {117},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.117.043601}}
 
 @article{Giarrusso_2018,
-	Abstract = {Using the formalism of the conditional amplitude, we study the response part of the exchange-correlation potential in the strong-coupling limit of density functional theory, analyzing its peculiar features and comparing it with the response potential averaged over the coupling constant for small atoms and for the hydrogen molecule. We also use a simple one-dimensional model of a stretched heteronuclear molecule to derive exact properties of the response potential in the strong-coupling limit. The simplicity of the model allows us to unveil relevant features also of the exact Kohn-Sham potential and its different components, namely the appearance of a second peak in the correlation kinetic potential on the side of the most electronegative atom.},
-	Author = {Giarrusso, Sara and Vuckovic, Stefan and {Gori-Giorgi}, Paola},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/acs.jctc.8b00386},
-	File = {/Users/loos/Zotero/storage/WIEX8B37/Giarrusso et al. - 2018 - Response Potential in the Strong-Interaction Limit.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = aug,
-	Number = {8},
-	Pages = {4151-4167},
-	Shorttitle = {Response {{Potential}} in the {{Strong}}-{{Interaction Limit}} of {{Density Functional Theory}}},
-	Title = {Response {{Potential}} in the {{Strong}}-{{Interaction Limit}} of {{Density Functional Theory}}: {{Analysis}} and {{Comparison}} with the {{Coupling}}-{{Constant Average}}},
-	Volume = {14},
-	Year = {2018},
+	abstract = {Using the formalism of the conditional amplitude, we study the response part of the exchange-correlation potential in the strong-coupling limit of density functional theory, analyzing its peculiar features and comparing it with the response potential averaged over the coupling constant for small atoms and for the hydrogen molecule. We also use a simple one-dimensional model of a stretched heteronuclear molecule to derive exact properties of the response potential in the strong-coupling limit. The simplicity of the model allows us to unveil relevant features also of the exact Kohn-Sham potential and its different components, namely the appearance of a second peak in the correlation kinetic potential on the side of the most electronegative atom.},
+	author = {Giarrusso, Sara and Vuckovic, Stefan and {Gori-Giorgi}, Paola},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/acs.jctc.8b00386},
+	file = {/Users/loos/Zotero/storage/WIEX8B37/Giarrusso et al. - 2018 - Response Potential in the Strong-Interaction Limit.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = aug,
+	number = {8},
+	pages = {4151-4167},
+	shorttitle = {Response {{Potential}} in the {{Strong}}-{{Interaction Limit}} of {{Density Functional Theory}}},
+	title = {Response {{Potential}} in the {{Strong}}-{{Interaction Limit}} of {{Density Functional Theory}}: {{Analysis}} and {{Comparison}} with the {{Coupling}}-{{Constant Average}}},
+	volume = {14},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00386}}
 
 @article{Giarrusso_2018a,
-	Abstract = {The response part of the exchange-correlation potential of Kohn\textendash{}Sham density functional theory plays a very important role, for example for the calculation of accurate band gaps and excitation energies. Here we analyze this part of the potential in the limit of infinite interaction in density functional theory, showing that in the one-dimensional case it satisfies a very simple sum rule.},
-	Author = {Giarrusso, Sara and {Gori-Giorgi}, Paola and Giesbertz, Klaas J. H.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1140/epjb/e2018-90301-8},
-	File = {/Users/loos/Zotero/storage/6FTETEYK/Giarrusso et al. - 2018 - Sum-rules of the response potential in the strongl.pdf},
-	Issn = {1434-6028, 1434-6036},
-	Journal = {Eur. Phys. J. B},
-	Language = {en},
-	Month = aug,
-	Number = {8},
-	Title = {Sum-Rules of the Response Potential in the Strongly-Interacting Limit of {{DFT}}},
-	Volume = {91},
-	Year = {2018},
+	abstract = {The response part of the exchange-correlation potential of Kohn\textendash{}Sham density functional theory plays a very important role, for example for the calculation of accurate band gaps and excitation energies. Here we analyze this part of the potential in the limit of infinite interaction in density functional theory, showing that in the one-dimensional case it satisfies a very simple sum rule.},
+	author = {Giarrusso, Sara and {Gori-Giorgi}, Paola and Giesbertz, Klaas J. H.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1140/epjb/e2018-90301-8},
+	file = {/Users/loos/Zotero/storage/6FTETEYK/Giarrusso et al. - 2018 - Sum-rules of the response potential in the strongl.pdf},
+	issn = {1434-6028, 1434-6036},
+	journal = {Eur. Phys. J. B},
+	language = {en},
+	month = aug,
+	number = {8},
+	title = {Sum-Rules of the Response Potential in the Strongly-Interacting Limit of {{DFT}}},
+	volume = {91},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1140/epjb/e2018-90301-8}}
 
 @article{Gidopoulos_2002,
-	Author = {Gidopoulos, N. I. and Papaconstantinou, P. G. and Gross, E. K. U.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.88.033003},
-	Journal = {Phys. Rev. Lett.},
-	Month = jan,
-	Number = {3},
-	Pages = {033003},
-	Title = {Spurious {{Interactions}}, and {{Their Correction}}, in the {{Ensemble}}-{{Kohn}}-{{Sham Scheme}} for {{Excited States}}},
-	Volume = {88},
-	Year = {2002},
+	author = {Gidopoulos, N. I. and Papaconstantinou, P. G. and Gross, E. K. U.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.88.033003},
+	journal = {Phys. Rev. Lett.},
+	month = jan,
+	number = {3},
+	pages = {033003},
+	title = {Spurious {{Interactions}}, and {{Their Correction}}, in the {{Ensemble}}-{{Kohn}}-{{Sham Scheme}} for {{Excited States}}},
+	volume = {88},
+	year = {2002},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.88.033003}}
 
 @article{Gill_2012,
-	Author = {Gill, Peter M. W. and Loos, Pierre-Fran{\c c}ois},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1007/s00214-011-1069-7},
-	File = {/Users/loos/Zotero/storage/A85Y7E9B/32.pdf},
-	Issn = {1432-881X, 1432-2234},
-	Journal = {Theor. Chem. Acc.},
-	Language = {en},
-	Month = jan,
-	Number = {1},
-	Pages = {1069},
-	Title = {Uniform Electron Gases},
-	Volume = {131},
-	Year = {2012},
+	author = {Gill, Peter M. W. and Loos, Pierre-Fran{\c c}ois},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1007/s00214-011-1069-7},
+	file = {/Users/loos/Zotero/storage/A85Y7E9B/32.pdf},
+	issn = {1432-881X, 1432-2234},
+	journal = {Theor. Chem. Acc.},
+	language = {en},
+	month = jan,
+	number = {1},
+	pages = {1069},
+	title = {Uniform Electron Gases},
+	volume = {131},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1007/s00214-011-1069-7}}
 
 @article{Giner_2013,
-	Author = {Giner, Emmanuel and Scemama, Anthony and Caffarel, Michel},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1139/cjc-2013-0017},
-	Issn = {1480-3291},
-	Journal = {Can. J. Chem.},
-	Month = {Sep},
-	Number = {9},
-	Pages = {879--885},
-	Publisher = {Canadian Science Publishing},
-	Title = {Using perturbatively selected configuration interaction in quantum Monte Carlo calculations},
-	Url = {http://dx.doi.org/10.1139/cjc-2013-0017},
-	Volume = {91},
-	Year = {2013},
+	author = {Giner, Emmanuel and Scemama, Anthony and Caffarel, Michel},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1139/cjc-2013-0017},
+	issn = {1480-3291},
+	journal = {Can. J. Chem.},
+	month = {Sep},
+	number = {9},
+	pages = {879--885},
+	publisher = {Canadian Science Publishing},
+	title = {Using perturbatively selected configuration interaction in quantum Monte Carlo calculations},
+	url = {http://dx.doi.org/10.1139/cjc-2013-0017},
+	volume = {91},
+	year = {2013},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1139/cjc-2013-0017}}
 
 @article{Giner_2015,
-	Author = {Emmanuel Giner and Anthony Scemama and Michel Caffarel},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4905528},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Jan},
-	Number = {4},
-	Pages = {044115},
-	Publisher = {AIP Publishing},
-	Title = {Fixed-node diffusion Monte Carlo potential energy curve of the fluorine molecule F2 using selected configuration interaction trial wavefunctions},
-	Url = {http://dx.doi.org/10.1063/1.4905528},
-	Volume = {142},
-	Year = {2015},
+	author = {Emmanuel Giner and Anthony Scemama and Michel Caffarel},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4905528},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Jan},
+	number = {4},
+	pages = {044115},
+	publisher = {AIP Publishing},
+	title = {Fixed-node diffusion Monte Carlo potential energy curve of the fluorine molecule F2 using selected configuration interaction trial wavefunctions},
+	url = {http://dx.doi.org/10.1063/1.4905528},
+	volume = {142},
+	year = {2015},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4905528}}
 
 @article{Giner_2016,
-	Author = {Giner, E. and David, G. and Scemama, A. and Malrieu, J. P.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4940781},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Feb},
-	Number = {6},
-	Pages = {064101},
-	Publisher = {AIP Publishing},
-	Title = {A simple approach to the state-specific MR-CC using the intermediate Hamiltonian formalism},
-	Url = {http://dx.doi.org/10.1063/1.4940781},
-	Volume = {144},
-	Year = {2016},
+	author = {Giner, E. and David, G. and Scemama, A. and Malrieu, J. P.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4940781},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Feb},
+	number = {6},
+	pages = {064101},
+	publisher = {AIP Publishing},
+	title = {A simple approach to the state-specific MR-CC using the intermediate Hamiltonian formalism},
+	url = {http://dx.doi.org/10.1063/1.4940781},
+	volume = {144},
+	year = {2016},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4940781}}
 
 @article{Giner_2017a,
-	Author = {Giner, Emmanuel and Angeli, Celestino and Garniron, Yann and Scemama, Anthony and Malrieu, Jean-Paul},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4984616},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Jun},
-	Number = {22},
-	Pages = {224108},
-	Publisher = {AIP Publishing},
-	Title = {A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves},
-	Url = {http://dx.doi.org/10.1063/1.4984616},
-	Volume = {146},
-	Year = {2017},
+	author = {Giner, Emmanuel and Angeli, Celestino and Garniron, Yann and Scemama, Anthony and Malrieu, Jean-Paul},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4984616},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Jun},
+	number = {22},
+	pages = {224108},
+	publisher = {AIP Publishing},
+	title = {A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves},
+	url = {http://dx.doi.org/10.1063/1.4984616},
+	volume = {146},
+	year = {2017},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4984616}}
 
 @article{Giner_2017b,
-	Author = {Giner, E. and Angeli, C. and Scemama, A. and Malrieu, J.-P.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/j.comptc.2017.03.001},
-	Issn = {2210-271X},
-	Journal = {Comput. Theor. Chem.},
-	Month = {Sep},
-	Pages = {134--140},
-	Publisher = {Elsevier BV},
-	Title = {Orthogonal Valence Bond Hamiltonians incorporating dynamical correlation effects},
-	Url = {http://dx.doi.org/10.1016/j.comptc.2017.03.001},
-	Volume = {1116},
-	Year = {2017},
+	author = {Giner, E. and Angeli, C. and Scemama, A. and Malrieu, J.-P.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/j.comptc.2017.03.001},
+	issn = {2210-271X},
+	journal = {Comput. Theor. Chem.},
+	month = {Sep},
+	pages = {134--140},
+	publisher = {Elsevier BV},
+	title = {Orthogonal Valence Bond Hamiltonians incorporating dynamical correlation effects},
+	url = {http://dx.doi.org/10.1016/j.comptc.2017.03.001},
+	volume = {1116},
+	year = {2017},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1016/j.comptc.2017.03.001}}
 
 @article{Gordon_1979,
-	Author = {Robert D. Gordon and Paula Luck},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {http://dx.doi.org/10.1016/0009-2614(79)80276-6},
-	Issn = {0009-2614},
-	Journal = {Chem. Phys. Lett.},
-	Number = {3},
-	Pages = {480--483},
-	Title = {Conformational Changes Accompanying Electronic Excitation of CD$_3$NO},
-	Url = {http://www.sciencedirect.com/science/article/pii/0009261479802766},
-	Volume = {65},
-	Year = {1979},
+	author = {Robert D. Gordon and Paula Luck},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {http://dx.doi.org/10.1016/0009-2614(79)80276-6},
+	issn = {0009-2614},
+	journal = {Chem. Phys. Lett.},
+	number = {3},
+	pages = {480--483},
+	title = {Conformational Changes Accompanying Electronic Excitation of CD$_3$NO},
+	url = {http://www.sciencedirect.com/science/article/pii/0009261479802766},
+	volume = {65},
+	year = {1979},
 	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0009261479802766},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1016/0009-2614(79)80276-6}}
 
 @article{Gori-Giorgi_2009,
-	Author = {{Gori-Giorgi}, Paola and Seidl, Michael and Vignale, G.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.103.166402},
-	File = {/Users/loos/Zotero/storage/N7UAPX2V/Gori-Giorgi et al. - 2009 - Density-Functional Theory for Strongly Interacting.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = oct,
-	Number = {16},
-	Title = {Density-{{Functional Theory}} for {{Strongly Interacting Electrons}}},
-	Volume = {103},
-	Year = {2009},
+	author = {{Gori-Giorgi}, Paola and Seidl, Michael and Vignale, G.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.103.166402},
+	file = {/Users/loos/Zotero/storage/N7UAPX2V/Gori-Giorgi et al. - 2009 - Density-Functional Theory for Strongly Interacting.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = oct,
+	number = {16},
+	title = {Density-{{Functional Theory}} for {{Strongly Interacting Electrons}}},
+	volume = {103},
+	year = {2009},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.103.166402}}
 
 @article{Gorling_2015,
-	Author = {G\"orling, Andreas},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevB.91.245120},
-	File = {/Users/loos/Zotero/storage/DNV6TU95/G{\"o}rling - 2015 - Exchange-correlation potentials with proper discon.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = jun,
-	Number = {24},
-	Title = {Exchange-Correlation Potentials with Proper Discontinuities for Physically Meaningful {{Kohn}}-{{Sham}} Eigenvalues and Band Structures},
-	Volume = {91},
-	Year = {2015},
+	author = {G\"orling, Andreas},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevB.91.245120},
+	file = {/Users/loos/Zotero/storage/DNV6TU95/G{\"o}rling - 2015 - Exchange-correlation potentials with proper discon.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = jun,
+	number = {24},
+	title = {Exchange-Correlation Potentials with Proper Discontinuities for Physically Meaningful {{Kohn}}-{{Sham}} Eigenvalues and Band Structures},
+	volume = {91},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.91.245120}}
 
 @article{Gould_2013,
-	Author = {Gould, Tim and Dobson, John F.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4773284},
-	File = {/Users/loos/Zotero/storage/IGEZZ6JP/Gould and Dobson - 2013 - The flexible nature of exchange, correlation, and .pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = jan,
-	Number = {1},
-	Pages = {014103},
-	Shorttitle = {The Flexible Nature of Exchange, Correlation, and {{Hartree}} Physics},
-	Title = {The Flexible Nature of Exchange, Correlation, and {{Hartree}} Physics: {{Resolving}} ``Delocalization'' Errors in a ``Correlation Free'' Density Functional},
-	Volume = {138},
-	Year = {2013},
+	author = {Gould, Tim and Dobson, John F.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4773284},
+	file = {/Users/loos/Zotero/storage/IGEZZ6JP/Gould and Dobson - 2013 - The flexible nature of exchange, correlation, and .pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = jan,
+	number = {1},
+	pages = {014103},
+	shorttitle = {The Flexible Nature of Exchange, Correlation, and {{Hartree}} Physics},
+	title = {The Flexible Nature of Exchange, Correlation, and {{Hartree}} Physics: {{Resolving}} ``Delocalization'' Errors in a ``Correlation Free'' Density Functional},
+	volume = {138},
+	year = {2013},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4773284}}
 
 @article{Gould_2014,
-	Author = {Gould, Tim and Toulouse, Julien},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.90.050502},
-	File = {/Users/loos/Zotero/storage/QIMXFUQN/Gould and Toulouse - 2014 - Kohn-Sham potentials in exact density-functional t.pdf},
-	Issn = {1050-2947, 1094-1622},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = nov,
-	Number = {5},
-	Pages = {050502},
-	Title = {Kohn-{{Sham}} Potentials in Exact Density-Functional Theory at Noninteger Electron Numbers},
-	Volume = {90},
-	Year = {2014},
+	author = {Gould, Tim and Toulouse, Julien},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.90.050502},
+	file = {/Users/loos/Zotero/storage/QIMXFUQN/Gould and Toulouse - 2014 - Kohn-Sham potentials in exact density-functional t.pdf},
+	issn = {1050-2947, 1094-1622},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = nov,
+	number = {5},
+	pages = {050502},
+	title = {Kohn-{{Sham}} Potentials in Exact Density-Functional Theory at Noninteger Electron Numbers},
+	volume = {90},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.90.050502}}
 
 @article{Gould_2017,
-	Author = {Gould, Tim and Pittalis, Stefano},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.119.243001},
-	File = {/Users/loos/Zotero/storage/PJUSVVIV/Gould and Pittalis - 2017 - Hartree and Exchange in Ensemble Density Functiona.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = dec,
-	Number = {24},
-	Pages = {243001},
-	Shorttitle = {Hartree and {{Exchange}} in {{Ensemble Density Functional Theory}}},
-	Title = {Hartree and {{Exchange}} in {{Ensemble Density Functional Theory}}: {{Avoiding}} the {{Nonuniqueness Disaster}}},
-	Volume = {119},
-	Year = {2017},
+	author = {Gould, Tim and Pittalis, Stefano},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.119.243001},
+	file = {/Users/loos/Zotero/storage/PJUSVVIV/Gould and Pittalis - 2017 - Hartree and Exchange in Ensemble Density Functiona.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = dec,
+	number = {24},
+	pages = {243001},
+	shorttitle = {Hartree and {{Exchange}} in {{Ensemble Density Functional Theory}}},
+	title = {Hartree and {{Exchange}} in {{Ensemble Density Functional Theory}}: {{Avoiding}} the {{Nonuniqueness Disaster}}},
+	volume = {119},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.119.243001}}
 
 @article{Gould_2018a,
-	Author = {Gould, Tim and Kronik, Leeor and Pittalis, Stefano},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-09-07 08:52:48 +0200},
-	Doi = {10.1063/1.5022832},
-	File = {/Users/loos/Zotero/storage/C5DEDGG2/Gould et al. - 2018 - Charge transfer excitations from exact and approxi.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = may,
-	Number = {17},
-	Pages = {174101},
-	Title = {Charge Transfer Excitations from Exact and Approximate Ensemble {{Kohn}}-{{Sham}} Theory},
-	Volume = {148},
-	Year = {2018},
+	author = {Gould, Tim and Kronik, Leeor and Pittalis, Stefano},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-09-07 08:52:48 +0200},
+	doi = {10.1063/1.5022832},
+	file = {/Users/loos/Zotero/storage/C5DEDGG2/Gould et al. - 2018 - Charge transfer excitations from exact and approxi.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = may,
+	number = {17},
+	pages = {174101},
+	title = {Charge Transfer Excitations from Exact and Approximate Ensemble {{Kohn}}-{{Sham}} Theory},
+	volume = {148},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.5022832}}
 
 @article{Gould_2019,
-	Author = {Gould, Tim and Pittalis, Stefano},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.123.016401},
-	Journal = {Phys. Rev. Lett.},
-	Pages = {016401},
-	Title = {Density-Driven Correlations in Many-Electron Ensembles: Theory and Application for Excited States},
-	Volume = {123},
-	Year = {2019},
+	author = {Gould, Tim and Pittalis, Stefano},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.123.016401},
+	journal = {Phys. Rev. Lett.},
+	pages = {016401},
+	title = {Density-Driven Correlations in Many-Electron Ensembles: Theory and Application for Excited States},
+	volume = {123},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.123.016401}}
 
 @article{Gozem_2012,
-	Abstract = {The ground state potential energy surface of the retinal chromophore of visual pigments (e.g., bovine rhodopsin) features a low-lying conical intersection surrounded by regions with variable charge-transfer and diradical electronic structures. This implies that dynamic electron correlation may have a large effect on the shape of the force fields driving its reactivity. To investigate this effect, we focus on mapping the potential energy for three paths located along the ground state CASSCF potential energy surface of the penta-2,4-dieniminium cation taken as a minimal model of the retinal chromophore. The first path spans the bond length alternation coordinate and intercepts a conical intersection point. The other two are minimum energy paths along two distinct but kinetically competitive thermal isomerization coordinates. We show that the effect of introducing the missing dynamic electron correlation variationally (with MRCISD) and perturbatively (with the CASPT2, NEVPT2, and XMCQDPT2 methods) leads, invariably, to a stabilization of the regions with charge transfer character and to a significant reshaping of the reference CASSCF potential energy surface and suggesting a change in the dominating isomerization mechanism. The possible impact of such a correction on the photoisomerization of the retinal chromophore is discussed.},
-	Author = {Gozem, Samer and Huntress, Mark and Schapiro, Igor and Lindh, Roland and Granovsky, Alexander A. and Angeli, Celestino and Olivucci, Massimo},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/ct3003139},
-	File = {/Users/loos/Zotero/storage/BBENY2RV/Gozem et al. - 2012 - Dynamic Electron Correlation Effects on the Ground.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = nov,
-	Number = {11},
-	Pages = {4069-4080},
-	Title = {Dynamic {{Electron Correlation Effects}} on the {{Ground State Potential Energy Surface}} of a {{Retinal Chromophore Model}}},
-	Volume = {8},
-	Year = {2012},
+	abstract = {The ground state potential energy surface of the retinal chromophore of visual pigments (e.g., bovine rhodopsin) features a low-lying conical intersection surrounded by regions with variable charge-transfer and diradical electronic structures. This implies that dynamic electron correlation may have a large effect on the shape of the force fields driving its reactivity. To investigate this effect, we focus on mapping the potential energy for three paths located along the ground state CASSCF potential energy surface of the penta-2,4-dieniminium cation taken as a minimal model of the retinal chromophore. The first path spans the bond length alternation coordinate and intercepts a conical intersection point. The other two are minimum energy paths along two distinct but kinetically competitive thermal isomerization coordinates. We show that the effect of introducing the missing dynamic electron correlation variationally (with MRCISD) and perturbatively (with the CASPT2, NEVPT2, and XMCQDPT2 methods) leads, invariably, to a stabilization of the regions with charge transfer character and to a significant reshaping of the reference CASSCF potential energy surface and suggesting a change in the dominating isomerization mechanism. The possible impact of such a correction on the photoisomerization of the retinal chromophore is discussed.},
+	author = {Gozem, Samer and Huntress, Mark and Schapiro, Igor and Lindh, Roland and Granovsky, Alexander A. and Angeli, Celestino and Olivucci, Massimo},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/ct3003139},
+	file = {/Users/loos/Zotero/storage/BBENY2RV/Gozem et al. - 2012 - Dynamic Electron Correlation Effects on the Ground.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = nov,
+	number = {11},
+	pages = {4069-4080},
+	title = {Dynamic {{Electron Correlation Effects}} on the {{Ground State Potential Energy Surface}} of a {{Retinal Chromophore Model}}},
+	volume = {8},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct3003139}}
 
 @article{Gozem_2013,
-	Abstract = {This work investigates the performance of equation-ofmotion coupled-cluster (EOM-CC) methods for describing the changes in the potential energy surfaces of the penta-2,4-dieniminium cation, a reduced model of the retinal chromophore of visual pigments, due to dynamical electron correlation effects. The groundstate wave function of this model includes charge-transfer and diradical configurations whose weights vary along different displacements and are rapidly changing at the conical intersection between the ground and the first excited states, making the shape of the potential energy surface sensitive to a balanced description of nondynamical and dynamical correlation. Recently, variational (MRCISD) and perturbative (MRPT2) approaches for including dynamical correlation in CASSCF-based calculations were tested along three representative ground state paths. Here, we use the same three paths to compare the performance of single-reference EOM-CC methods against MRCISD and MRCISD+Q. We find that the spin-flip variant of EOM-CCSD with perturbative inclusion of triple excitations (dT or fT) produces potential energy profiles of the two lowest electronic states in quantitative agreement with MRCISD+Q (our highest-quality reference method). The nonparallelity errors and differences in vertical energy differences of the two surfaces along these scans are less than 1.4 kcal/mol (EOM-SF-CCSD(dT) versus MRCISD+Q). For comparison, the largest error of MRCISD versus MRCISD+Q is 1.7 kcal/mol. Our results show that the EOM-CC methods provide an alternative to multireference approaches and may be used to study photochemical systems like the one used in this work.},
-	Author = {Gozem, Samer and Krylov, Anna I. and Olivucci, Massimo},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/ct300759z},
-	File = {/Users/loos/Zotero/storage/DG2HDM7R/Gozem et al. - 2013 - Conical Intersection and Potential Energy Surface .pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = jan,
-	Number = {1},
-	Pages = {284-292},
-	Shorttitle = {Conical {{Intersection}} and {{Potential Energy Surface Features}} of a {{Model Retinal Chromophore}}},
-	Title = {Conical {{Intersection}} and {{Potential Energy Surface Features}} of a {{Model Retinal Chromophore}}: {{Comparison}} of {{EOM}}-{{CC}} and {{Multireference Methods}}},
-	Volume = {9},
-	Year = {2013},
+	abstract = {This work investigates the performance of equation-ofmotion coupled-cluster (EOM-CC) methods for describing the changes in the potential energy surfaces of the penta-2,4-dieniminium cation, a reduced model of the retinal chromophore of visual pigments, due to dynamical electron correlation effects. The groundstate wave function of this model includes charge-transfer and diradical configurations whose weights vary along different displacements and are rapidly changing at the conical intersection between the ground and the first excited states, making the shape of the potential energy surface sensitive to a balanced description of nondynamical and dynamical correlation. Recently, variational (MRCISD) and perturbative (MRPT2) approaches for including dynamical correlation in CASSCF-based calculations were tested along three representative ground state paths. Here, we use the same three paths to compare the performance of single-reference EOM-CC methods against MRCISD and MRCISD+Q. We find that the spin-flip variant of EOM-CCSD with perturbative inclusion of triple excitations (dT or fT) produces potential energy profiles of the two lowest electronic states in quantitative agreement with MRCISD+Q (our highest-quality reference method). The nonparallelity errors and differences in vertical energy differences of the two surfaces along these scans are less than 1.4 kcal/mol (EOM-SF-CCSD(dT) versus MRCISD+Q). For comparison, the largest error of MRCISD versus MRCISD+Q is 1.7 kcal/mol. Our results show that the EOM-CC methods provide an alternative to multireference approaches and may be used to study photochemical systems like the one used in this work.},
+	author = {Gozem, Samer and Krylov, Anna I. and Olivucci, Massimo},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/ct300759z},
+	file = {/Users/loos/Zotero/storage/DG2HDM7R/Gozem et al. - 2013 - Conical Intersection and Potential Energy Surface .pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = jan,
+	number = {1},
+	pages = {284-292},
+	shorttitle = {Conical {{Intersection}} and {{Potential Energy Surface Features}} of a {{Model Retinal Chromophore}}},
+	title = {Conical {{Intersection}} and {{Potential Energy Surface Features}} of a {{Model Retinal Chromophore}}: {{Comparison}} of {{EOM}}-{{CC}} and {{Multireference Methods}}},
+	volume = {9},
+	year = {2013},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct300759z}}
 
 @article{Gozem_2013a,
-	Author = {Gozem, Samer and Melaccio, Federico and Lindh, Roland and Krylov, Anna I. and Granovsky, Alexander A. and Angeli, Celestino and Olivucci, Massimo},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/ct400460h},
-	File = {/Users/loos/Zotero/storage/PNMIDT7G/Gozem et al. - 2013 - Mapping the Excited State Potential Energy Surface.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = oct,
-	Number = {10},
-	Pages = {4495-4506},
-	Title = {Mapping the {{Excited State Potential Energy Surface}} of a {{Retinal Chromophore Model}} with {{Multireference}} and {{Equation}}-of-{{Motion Coupled}}-{{Cluster Methods}}},
-	Volume = {9},
-	Year = {2013},
+	author = {Gozem, Samer and Melaccio, Federico and Lindh, Roland and Krylov, Anna I. and Granovsky, Alexander A. and Angeli, Celestino and Olivucci, Massimo},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/ct400460h},
+	file = {/Users/loos/Zotero/storage/PNMIDT7G/Gozem et al. - 2013 - Mapping the Excited State Potential Energy Surface.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = oct,
+	number = {10},
+	pages = {4495-4506},
+	title = {Mapping the {{Excited State Potential Energy Surface}} of a {{Retinal Chromophore Model}} with {{Multireference}} and {{Equation}}-of-{{Motion Coupled}}-{{Cluster Methods}}},
+	volume = {9},
+	year = {2013},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct400460h}}
 
 @article{Gozem_2014,
-	Abstract = {We report and characterize ground-state and excited-state potential energy profiles using a variety of electronic structure methods along a loop lying on the branching plane associated with a conical intersection (CI) of a reduced retinal model, the penta-2,4-dieniminium cation (PSB3). Whereas the performance of the equation-of-motion coupled-cluster, density functional theory, and multireference methods had been tested along the excited- and ground-state paths of PSB3 in our earlier work, the ability of these methods to correctly describe the potential energy surface shape along a CI branching plane has not yet been investigated. This is the focus of the present contribution. We find, in agreement with earlier studies by others, that standard time-dependent DFT (TDDFT) does not yield the correct two-dimensional (i.e., conical) crossing along the branching plane but rather a one-dimensional (i.e., linear) crossing along the same plane. The same type of behavior is found for SS-CASPT2(IPEA=0), SS-CASPT2(IPEA=0.25), spin-projected SF-TDDFT, EOM-SF-CCSD, and, finally, for the reference MRCISD+Q method. In contrast, we found that MRCISD, CASSCF, MS-CASPT2(IPEA=0), MS-CASPT2(IPEA=0.25), XMCQDPT2, QD-NEVPT2, non-spin-projected SF-TDDFT, and SI-SA-REKS yield the expected conical crossing. To assess the effect of the different crossing topologies (i.e., linear or conical) on the PSB3 photoisomerization efficiency, we discuss the results of 100 semiclassical trajectories computed by CASSCF and SS-CASPT2(IPEA=0.25) for a PSB3 derivative. We show that for the same initial conditions, the two methods yield similar dynamics leading to isomerization quantum yields that differ by only a few percent.},
-	Author = {Gozem, Samer and Melaccio, Federico and Valentini, Alessio and Filatov, Michael and {Huix-Rotllant}, Miquel and Ferr\'e, Nicolas and Frutos, Luis Manuel and Angeli, Celestino and Krylov, Anna I. and Granovsky, Alexander A. and Lindh, Roland and Olivucci, Massimo},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/ct500154k},
-	File = {/Users/loos/Zotero/storage/VABYG9ND/Gozem et al. - 2014 - Shape of Multireference, Equation-of-Motion Couple.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = aug,
-	Number = {8},
-	Pages = {3074-3084},
-	Title = {Shape of {{Multireference}}, {{Equation}}-of-{{Motion Coupled}}-{{Cluster}}, and {{Density Functional Theory Potential Energy Surfaces}} at a {{Conical Intersection}}},
-	Volume = {10},
-	Year = {2014},
+	abstract = {We report and characterize ground-state and excited-state potential energy profiles using a variety of electronic structure methods along a loop lying on the branching plane associated with a conical intersection (CI) of a reduced retinal model, the penta-2,4-dieniminium cation (PSB3). Whereas the performance of the equation-of-motion coupled-cluster, density functional theory, and multireference methods had been tested along the excited- and ground-state paths of PSB3 in our earlier work, the ability of these methods to correctly describe the potential energy surface shape along a CI branching plane has not yet been investigated. This is the focus of the present contribution. We find, in agreement with earlier studies by others, that standard time-dependent DFT (TDDFT) does not yield the correct two-dimensional (i.e., conical) crossing along the branching plane but rather a one-dimensional (i.e., linear) crossing along the same plane. The same type of behavior is found for SS-CASPT2(IPEA=0), SS-CASPT2(IPEA=0.25), spin-projected SF-TDDFT, EOM-SF-CCSD, and, finally, for the reference MRCISD+Q method. In contrast, we found that MRCISD, CASSCF, MS-CASPT2(IPEA=0), MS-CASPT2(IPEA=0.25), XMCQDPT2, QD-NEVPT2, non-spin-projected SF-TDDFT, and SI-SA-REKS yield the expected conical crossing. To assess the effect of the different crossing topologies (i.e., linear or conical) on the PSB3 photoisomerization efficiency, we discuss the results of 100 semiclassical trajectories computed by CASSCF and SS-CASPT2(IPEA=0.25) for a PSB3 derivative. We show that for the same initial conditions, the two methods yield similar dynamics leading to isomerization quantum yields that differ by only a few percent.},
+	author = {Gozem, Samer and Melaccio, Federico and Valentini, Alessio and Filatov, Michael and {Huix-Rotllant}, Miquel and Ferr\'e, Nicolas and Frutos, Luis Manuel and Angeli, Celestino and Krylov, Anna I. and Granovsky, Alexander A. and Lindh, Roland and Olivucci, Massimo},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/ct500154k},
+	file = {/Users/loos/Zotero/storage/VABYG9ND/Gozem et al. - 2014 - Shape of Multireference, Equation-of-Motion Couple.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = aug,
+	number = {8},
+	pages = {3074-3084},
+	title = {Shape of {{Multireference}}, {{Equation}}-of-{{Motion Coupled}}-{{Cluster}}, and {{Density Functional Theory Potential Energy Surfaces}} at a {{Conical Intersection}}},
+	volume = {10},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct500154k}}
 
 @article{Grimme_2004,
-	Author = {Grimme, S. and Izgorodina, E. I.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Chem. Phys.},
-	Pages = {223--230},
-	Title = {Calculation of 0--0 Excitation Energies of Organic Molecules by CIS(D) Quantum Chemical Methods},
-	Volume = 305,
-	Year = {2004}}
+	author = {Grimme, S. and Izgorodina, E. I.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Chem. Phys.},
+	pages = {223--230},
+	title = {Calculation of 0--0 Excitation Energies of Organic Molecules by CIS(D) Quantum Chemical Methods},
+	volume = 305,
+	year = {2004}}
 
 @article{Gross_1988a,
-	Author = {Gross, E. K. U. and Oliveira, L. N. and Kohn, W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.37.2805},
-	File = {/Users/loos/Zotero/storage/24I8IUKS/Gross et al. - 1988 - Rayleigh-Ritz variational principle for ensembles .pdf},
-	Issn = {0556-2791},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = apr,
-	Number = {8},
-	Pages = {2805-2808},
-	Title = {Rayleigh-{{Ritz}} Variational Principle for Ensembles of Fractionally Occupied States},
-	Volume = {37},
-	Year = {1988},
+	author = {Gross, E. K. U. and Oliveira, L. N. and Kohn, W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.37.2805},
+	file = {/Users/loos/Zotero/storage/24I8IUKS/Gross et al. - 1988 - Rayleigh-Ritz variational principle for ensembles .pdf},
+	issn = {0556-2791},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = apr,
+	number = {8},
+	pages = {2805-2808},
+	title = {Rayleigh-{{Ritz}} Variational Principle for Ensembles of Fractionally Occupied States},
+	volume = {37},
+	year = {1988},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.37.2805}}
 
 @article{Gross_1988b,
-	Author = {Gross, E. K. U. and Oliveira, L. N. and Kohn, W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.37.2809},
-	File = {/Users/loos/Zotero/storage/V9XVGNHV/Gross et al. - 1988 - Density-functional theory for ensembles of fractio.pdf},
-	Issn = {0556-2791},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = apr,
-	Number = {8},
-	Pages = {2809-2820},
-	Title = {Density-Functional Theory for Ensembles of Fractionally Occupied States. {{I}}. {{Basic}} Formalism},
-	Volume = {37},
-	Year = {1988},
+	author = {Gross, E. K. U. and Oliveira, L. N. and Kohn, W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.37.2809},
+	file = {/Users/loos/Zotero/storage/V9XVGNHV/Gross et al. - 1988 - Density-functional theory for ensembles of fractio.pdf},
+	issn = {0556-2791},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = apr,
+	number = {8},
+	pages = {2809-2820},
+	title = {Density-Functional Theory for Ensembles of Fractionally Occupied States. {{I}}. {{Basic}} Formalism},
+	volume = {37},
+	year = {1988},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.37.2809}}
 
 @article{Gross_1988c,
-	Author = {Gross, E. K. U. and Oliveira, L. N. and Kohn, W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.37.2805},
-	File = {/Users/loos/Zotero/storage/3T7YFYJX/Gross et al. - 1988 - Rayleigh-Ritz variational principle for ensembles .pdf},
-	Issn = {0556-2791},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = apr,
-	Number = {8},
-	Pages = {2805-2808},
-	Title = {Rayleigh-{{Ritz}} Variational Principle for Ensembles of Fractionally Occupied States},
-	Volume = {37},
-	Year = {1988},
+	author = {Gross, E. K. U. and Oliveira, L. N. and Kohn, W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.37.2805},
+	file = {/Users/loos/Zotero/storage/3T7YFYJX/Gross et al. - 1988 - Rayleigh-Ritz variational principle for ensembles .pdf},
+	issn = {0556-2791},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = apr,
+	number = {8},
+	pages = {2805-2808},
+	title = {Rayleigh-{{Ritz}} Variational Principle for Ensembles of Fractionally Occupied States},
+	volume = {37},
+	year = {1988},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.37.2805}}
 
 @article{Grossi_2017,
-	Abstract = {Exact pieces of information on the adiabatic connection integrand, W$\lambda$[$\rho$], which allows evaluation of the exchange-correlation energy of Kohn-Sham density functional theory, can be extracted from the leading terms in the strong coupling limit ($\lambda$ $\rightarrow$ $\infty$, where $\lambda$ is the strength of the electron-electron interaction). In this work, we first compare the theoretical prediction for the two leading terms in the strong coupling limit with data obtained via numerical implementation of the exact Levy functional in the simple case of two electrons confined in one dimension, confirming the asymptotic exactness of these two terms. We then carry out a first study on the incorporation of the Fermionic statistics at large coupling $\lambda$, both numerical and theoretical, confirming that spin effects enter at orders $\sim$e-$\surd\lambda$.},
-	Author = {Grossi, Juri and Kooi, Derk P. and Giesbertz, Klaas J. H. and Seidl, Michael and Cohen, Aron J. and {Mori-S\'anchez}, Paula and {Gori-Giorgi}, Paola},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/acs.jctc.7b00998},
-	File = {/Users/loos/Zotero/storage/N7476DG2/Grossi et al. - 2017 - Fermionic Statistics in the Strongly Correlated Li.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = dec,
-	Number = {12},
-	Pages = {6089-6100},
-	Title = {Fermionic {{Statistics}} in the {{Strongly Correlated Limit}} of {{Density Functional Theory}}},
-	Volume = {13},
-	Year = {2017},
+	abstract = {Exact pieces of information on the adiabatic connection integrand, W$\lambda$[$\rho$], which allows evaluation of the exchange-correlation energy of Kohn-Sham density functional theory, can be extracted from the leading terms in the strong coupling limit ($\lambda$ $\rightarrow$ $\infty$, where $\lambda$ is the strength of the electron-electron interaction). In this work, we first compare the theoretical prediction for the two leading terms in the strong coupling limit with data obtained via numerical implementation of the exact Levy functional in the simple case of two electrons confined in one dimension, confirming the asymptotic exactness of these two terms. We then carry out a first study on the incorporation of the Fermionic statistics at large coupling $\lambda$, both numerical and theoretical, confirming that spin effects enter at orders $\sim$e-$\surd\lambda$.},
+	author = {Grossi, Juri and Kooi, Derk P. and Giesbertz, Klaas J. H. and Seidl, Michael and Cohen, Aron J. and {Mori-S\'anchez}, Paula and {Gori-Giorgi}, Paola},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/acs.jctc.7b00998},
+	file = {/Users/loos/Zotero/storage/N7476DG2/Grossi et al. - 2017 - Fermionic Statistics in the Strongly Correlated Li.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = dec,
+	number = {12},
+	pages = {6089-6100},
+	title = {Fermionic {{Statistics}} in the {{Strongly Correlated Limit}} of {{Density Functional Theory}}},
+	volume = {13},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b00998}}
 
 @article{Grossman_2001,
-	Author = {Grossman, Jeffrey C. and Rohlfing, Michael and Mitas, Lubos and Louie, Steven G. and Cohen, Marvin L.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.86.472},
-	File = {/Users/loos/Zotero/storage/FGCU52SP/Grossman et al. - 2001 - High Accuracy Many-Body Calculational Approaches f.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = jan,
-	Number = {3},
-	Pages = {472-475},
-	Title = {High {{Accuracy Many}}-{{Body Calculational Approaches}} for {{Excitations}} in {{Molecules}}},
-	Volume = {86},
-	Year = {2001},
+	author = {Grossman, Jeffrey C. and Rohlfing, Michael and Mitas, Lubos and Louie, Steven G. and Cohen, Marvin L.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.86.472},
+	file = {/Users/loos/Zotero/storage/FGCU52SP/Grossman et al. - 2001 - High Accuracy Many-Body Calculational Approaches f.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = jan,
+	number = {3},
+	pages = {472-475},
+	title = {High {{Accuracy Many}}-{{Body Calculational Approaches}} for {{Excitations}} in {{Molecules}}},
+	volume = {86},
+	year = {2001},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.86.472}}
 
 @article{Grossman_2002,
-	Author = {Grossman, Jeffrey C.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.1487829},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Jul},
-	Number = {4},
-	Pages = {1434--1440},
-	Publisher = {AIP Publishing},
-	Title = {Benchmark quantum Monte Carlo calculations},
-	Url = {http://dx.doi.org/10.1063/1.1487829},
-	Volume = {117},
-	Year = {2002},
+	author = {Grossman, Jeffrey C.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.1487829},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Jul},
+	number = {4},
+	pages = {1434--1440},
+	publisher = {AIP Publishing},
+	title = {Benchmark quantum Monte Carlo calculations},
+	url = {http://dx.doi.org/10.1063/1.1487829},
+	volume = {117},
+	year = {2002},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.1487829}}
 
 @article{Guareschi_2013,
-	Author = {Guareschi, Riccardo and Filippi, Claudia},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/ct400876y},
-	File = {/Users/loos/Zotero/storage/HJKGZLDW/Guareschi and Filippi - 2013 - Ground- and Excited-State Geometry Optimization of.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = dec,
-	Number = {12},
-	Pages = {5513-5525},
-	Title = {Ground- and {{Excited}}-{{State Geometry Optimization}} of {{Small Organic Molecules}} with {{Quantum Monte Carlo}}},
-	Volume = {9},
-	Year = {2013},
+	author = {Guareschi, Riccardo and Filippi, Claudia},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/ct400876y},
+	file = {/Users/loos/Zotero/storage/HJKGZLDW/Guareschi and Filippi - 2013 - Ground- and Excited-State Geometry Optimization of.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = dec,
+	number = {12},
+	pages = {5513-5525},
+	title = {Ground- and {{Excited}}-{{State Geometry Optimization}} of {{Small Organic Molecules}} with {{Quantum Monte Carlo}}},
+	volume = {9},
+	year = {2013},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct400876y}}
 
 @article{Guareschi_2014,
-	Author = {Guareschi, Riccardo and Floris, Franca Maria and Amovilli, Claudio and Filippi, Claudia},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/ct500723s},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = dec,
-	Number = {12},
-	Pages = {5528-5537},
-	Shorttitle = {Solvent {{Effects}} on {{Excited}}-{{State Structures}}},
-	Title = {Solvent {{Effects}} on {{Excited}}-{{State Structures}}: {{A Quantum Monte Carlo}} and {{Density Functional Study}}},
-	Volume = {10},
-	Year = {2014},
+	author = {Guareschi, Riccardo and Floris, Franca Maria and Amovilli, Claudio and Filippi, Claudia},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/ct500723s},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = dec,
+	number = {12},
+	pages = {5528-5537},
+	shorttitle = {Solvent {{Effects}} on {{Excited}}-{{State Structures}}},
+	title = {Solvent {{Effects}} on {{Excited}}-{{State Structures}}: {{A Quantum Monte Carlo}} and {{Density Functional Study}}},
+	volume = {10},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct500723s}}
 
 @article{Guareschi_2016a,
-	Author = {Guareschi, Riccardo and Zulfikri, Habiburrahman and Daday, Csaba and Floris, Franca Maria and Amovilli, Claudio and Mennucci, Benedetta and Filippi, Claudia},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/acs.jctc.6b00044},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = apr,
-	Number = {4},
-	Pages = {1674-1683},
-	Shorttitle = {Introducing {{QMC}}/{{MMpol}}},
-	Title = {Introducing {{QMC}}/{{MMpol}}: {{Quantum Monte Carlo}} in {{Polarizable Force Fields}} for {{Excited States}}},
-	Volume = {12},
-	Year = {2016},
+	author = {Guareschi, Riccardo and Zulfikri, Habiburrahman and Daday, Csaba and Floris, Franca Maria and Amovilli, Claudio and Mennucci, Benedetta and Filippi, Claudia},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/acs.jctc.6b00044},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = apr,
+	number = {4},
+	pages = {1674-1683},
+	shorttitle = {Introducing {{QMC}}/{{MMpol}}},
+	title = {Introducing {{QMC}}/{{MMpol}}: {{Quantum Monte Carlo}} in {{Polarizable Force Fields}} for {{Excited States}}},
+	volume = {12},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.6b00044}}
 
 @article{Gwaltney_1995,
-	Author = {Steven R. Gwaltney and Rodney J. Bartlett},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {https://doi.org/10.1016/0009-2614(95)00608-7},
-	Issn = {0009-2614},
-	Journal = {Chem. Phys. Lett.},
-	Number = {1},
-	Pages = {26--32},
-	Title = {An Application of the Equation-Of-Motion Coupled Cluster Method to the Excited States of Formaldehyde, Acetaldehyde, and Acetone},
-	Url = {http://www.sciencedirect.com/science/article/pii/0009261495006087},
-	Volume = {241},
-	Year = {1995},
+	author = {Steven R. Gwaltney and Rodney J. Bartlett},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {https://doi.org/10.1016/0009-2614(95)00608-7},
+	issn = {0009-2614},
+	journal = {Chem. Phys. Lett.},
+	number = {1},
+	pages = {26--32},
+	title = {An Application of the Equation-Of-Motion Coupled Cluster Method to the Excited States of Formaldehyde, Acetaldehyde, and Acetone},
+	url = {http://www.sciencedirect.com/science/article/pii/0009261495006087},
+	volume = {241},
+	year = {1995},
 	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0009261495006087},
 	Bdsk-Url-2 = {https://doi.org/10.1016/0009-2614(95)00608-7}}
 
 @article{Ha_1972,
-	Author = {Ha, Tae-Kyu},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/0022-2860(72)85029-4},
-	Issn = {00222860},
-	Journal = {J. Mol. Struct.},
-	Language = {en},
-	Month = may,
-	Number = {2},
-	Pages = {171-178},
-	Title = {Ab Initio Calculation of Cis-Trans Isomerization in Glyoxal},
-	Volume = {12},
-	Year = {1972},
+	author = {Ha, Tae-Kyu},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/0022-2860(72)85029-4},
+	issn = {00222860},
+	journal = {J. Mol. Struct.},
+	language = {en},
+	month = may,
+	number = {2},
+	pages = {171-178},
+	title = {Ab Initio Calculation of Cis-Trans Isomerization in Glyoxal},
+	volume = {12},
+	year = {1972},
 	Bdsk-Url-1 = {https://doi.org/10.1016/0022-2860(72)85029-4}}
 
 @article{Hadad_1993,
-	Author = {Hadad, Christopher M. and Foresman, James B. and Wiberg, Kenneth B.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/j100119a010},
-	Journal = {J. Phys. Chem.},
-	Number = {17},
-	Pages = {4293--4312},
-	Title = {Excited States of Carbonyl Compounds. 1. Formaldehyde and Acetaldehyde},
-	Url = {http://dx.doi.org/10.1021/j100119a010},
-	Volume = {97},
-	Year = {1993},
+	author = {Hadad, Christopher M. and Foresman, James B. and Wiberg, Kenneth B.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/j100119a010},
+	journal = {J. Phys. Chem.},
+	number = {17},
+	pages = {4293--4312},
+	title = {Excited States of Carbonyl Compounds. 1. Formaldehyde and Acetaldehyde},
+	url = {http://dx.doi.org/10.1021/j100119a010},
+	volume = {97},
+	year = {1993},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1021/j100119a010}}
 
 @article{Haghighi_Mood_2017,
-	Author = {Haghighi Mood, Kaveh and L{\"u}chow, Arne},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/acs.jpca.7b05798},
-	Issn = {1520-5215},
-	Journal = {J. Phys. Chem. A},
-	Month = {Aug},
-	Number = {32},
-	Pages = {6165--6171},
-	Publisher = {American Chemical Society (ACS)},
-	Title = {Full Wave Function Optimization with Quantum Monte Carlo and Its Effect on the Dissociation Energy of FeS},
-	Url = {http://dx.doi.org/10.1021/acs.jpca.7b05798},
-	Volume = {121},
-	Year = {2017},
+	author = {Haghighi Mood, Kaveh and L{\"u}chow, Arne},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/acs.jpca.7b05798},
+	issn = {1520-5215},
+	journal = {J. Phys. Chem. A},
+	month = {Aug},
+	number = {32},
+	pages = {6165--6171},
+	publisher = {American Chemical Society (ACS)},
+	title = {Full Wave Function Optimization with Quantum Monte Carlo and Its Effect on the Dissociation Energy of FeS},
+	url = {http://dx.doi.org/10.1021/acs.jpca.7b05798},
+	volume = {121},
+	year = {2017},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1021/acs.jpca.7b05798}}
 
 @article{Hald_2002,
-	Author = {Hald, Kasper and J\o{}rgensen, Poul and Christiansen, Ove and Koch, Henrik},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.1457431},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = apr,
-	Number = {14},
-	Pages = {5963-5970},
-	Title = {Implementation of Electronic Ground States and Singlet and Triplet Excitation Energies in Coupled Cluster Theory with Approximate Triples Corrections},
-	Volume = {116},
-	Year = {2002},
+	author = {Hald, Kasper and J\o{}rgensen, Poul and Christiansen, Ove and Koch, Henrik},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.1457431},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = apr,
+	number = {14},
+	pages = {5963-5970},
+	title = {Implementation of Electronic Ground States and Singlet and Triplet Excitation Energies in Coupled Cluster Theory with Approximate Triples Corrections},
+	volume = {116},
+	year = {2002},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1457431}}
 
 @article{Hammond_1987,
-	Author = {Brian L. Hammond and Peter J. Reynolds and William A. Lester},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.453345},
-	Journal = {J. Chem. Phys.},
-	Month = {jul},
-	Number = {2},
-	Pages = {1130--1136},
-	Publisher = {{AIP} Publishing},
-	Title = {Valence quantum Monte Carlo with ab initio effective core potentials},
-	Url = {https://doi.org/10.1063%2F1.453345},
-	Volume = {87},
-	Year = 1987,
+	author = {Brian L. Hammond and Peter J. Reynolds and William A. Lester},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.453345},
+	journal = {J. Chem. Phys.},
+	month = {jul},
+	number = {2},
+	pages = {1130--1136},
+	publisher = {{AIP} Publishing},
+	title = {Valence quantum Monte Carlo with ab initio effective core potentials},
+	url = {https://doi.org/10.1063%2F1.453345},
+	volume = {87},
+	year = 1987,
 	Bdsk-Url-1 = {https://doi.org/10.1063%2F1.453345},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.453345}}
 
 @article{Handy_1999,
-	Author = {Handy, Nicholas C. and Tozer, David J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/(SICI)1096-987X(19990115)20:1<106::AID-JCC11>3.0.CO;2-P},
-	Issn = {0192-8651, 1096-987X},
-	Journal = {J. Comput. Chem.},
-	Language = {en},
-	Month = jan,
-	Number = {1},
-	Pages = {106-113},
-	Title = {Excitation Energies of Benzene from {{Kohn}}-{{Sham}} Theory},
-	Volume = {20},
-	Year = {1999},
+	author = {Handy, Nicholas C. and Tozer, David J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/(SICI)1096-987X(19990115)20:1<106::AID-JCC11>3.0.CO;2-P},
+	issn = {0192-8651, 1096-987X},
+	journal = {J. Comput. Chem.},
+	language = {en},
+	month = jan,
+	number = {1},
+	pages = {106-113},
+	title = {Excitation Energies of Benzene from {{Kohn}}-{{Sham}} Theory},
+	volume = {20},
+	year = {1999},
 	Bdsk-Url-1 = {https://doi.org/10.1002/(SICI)1096-987X(19990115)20:1%3C106::AID-JCC11%3E3.0.CO;2-P}}
 
 @article{Harbach_2014,
-	Author = {Harbach, Philipp H. P. and Wormit, Michael and Dreuw, Andreas},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4892418},
-	File = {/Users/loos/Zotero/storage/GP5QMR6N/Harbach et al. - 2014 - The third-order algebraic diagrammatic constructio.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = aug,
-	Number = {6},
-	Pages = {064113},
-	Shorttitle = {The Third-Order Algebraic Diagrammatic Construction Method ({{ADC}}(3)) for the Polarization Propagator for Closed-Shell Molecules},
-	Title = {The Third-Order Algebraic Diagrammatic Construction Method ({{ADC}}(3)) for the Polarization Propagator for Closed-Shell Molecules: {{Efficient}} Implementation and Benchmarking},
-	Volume = {141},
-	Year = {2014},
+	author = {Harbach, Philipp H. P. and Wormit, Michael and Dreuw, Andreas},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4892418},
+	file = {/Users/loos/Zotero/storage/GP5QMR6N/Harbach et al. - 2014 - The third-order algebraic diagrammatic constructio.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = aug,
+	number = {6},
+	pages = {064113},
+	shorttitle = {The Third-Order Algebraic Diagrammatic Construction Method ({{ADC}}(3)) for the Polarization Propagator for Closed-Shell Molecules},
+	title = {The Third-Order Algebraic Diagrammatic Construction Method ({{ADC}}(3)) for the Polarization Propagator for Closed-Shell Molecules: {{Efficient}} Implementation and Benchmarking},
+	volume = {141},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4892418}}
 
 @article{Hashimoto_1996,
-	Author = {Hashimoto, T. and Nakano, H. and Hirao, K.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.471286},
-	File = {/Users/loos/Zotero/storage/M979MTK8/Hashimoto et al. - 1996 - Theoretical study of the valence π→π excited stat.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = apr,
-	Number = {16},
-	Pages = {6244-6258},
-	Shorttitle = {Theoretical Study of the Valence $\Pi\rightarrow\pi$* Excited States of Polyacenes},
-	Title = {Theoretical Study of the Valence $\Pi\rightarrow\pi$* Excited States of Polyacenes: {{Benzene}} and Naphthalene},
-	Volume = {104},
-	Year = {1996},
+	author = {Hashimoto, T. and Nakano, H. and Hirao, K.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.471286},
+	file = {/Users/loos/Zotero/storage/M979MTK8/Hashimoto et al. - 1996 - Theoretical study of the valence π→π excited stat.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = apr,
+	number = {16},
+	pages = {6244-6258},
+	shorttitle = {Theoretical Study of the Valence $\Pi\rightarrow\pi$* Excited States of Polyacenes},
+	title = {Theoretical Study of the Valence $\Pi\rightarrow\pi$* Excited States of Polyacenes: {{Benzene}} and Naphthalene},
+	volume = {104},
+	year = {1996},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.471286}}
 
 @article{Hashimoto_1996a,
-	Author = {Hashimoto, T. and Nakano, H. and Hirao, K.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.471286},
-	File = {/Users/loos/Zotero/storage/M979MTK8/Hashimoto et al. - 1996 - Theoretical study of the valence π→π excited stat.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = apr,
-	Number = {16},
-	Pages = {6244-6258},
-	Shorttitle = {Theoretical Study of the Valence $\Pi\rightarrow\pi$* Excited States of Polyacenes},
-	Title = {Theoretical Study of the Valence $\Pi\rightarrow\pi$* Excited States of Polyacenes: {{Benzene}} and Naphthalene},
-	Volume = {104},
-	Year = {1996},
+	author = {Hashimoto, T. and Nakano, H. and Hirao, K.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.471286},
+	file = {/Users/loos/Zotero/storage/M979MTK8/Hashimoto et al. - 1996 - Theoretical study of the valence π→π excited stat.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = apr,
+	number = {16},
+	pages = {6244-6258},
+	shorttitle = {Theoretical Study of the Valence $\Pi\rightarrow\pi$* Excited States of Polyacenes},
+	title = {Theoretical Study of the Valence $\Pi\rightarrow\pi$* Excited States of Polyacenes: {{Benzene}} and Naphthalene},
+	volume = {104},
+	year = {1996},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.471286}}
 
 @article{Hattig_2000,
-	Author = {H\"attig, C. and Weigend, F.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {J. Chem. Phys.},
-	Pages = {5154--5161},
-	Title = {CC2 Excitation Energy Calculations on Large Molecules Using the Resolution of the Identity Approximation},
-	Volume = 113,
-	Year = 2000}
+	author = {H\"attig, C. and Weigend, F.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {J. Chem. Phys.},
+	pages = {5154--5161},
+	title = {CC2 Excitation Energy Calculations on Large Molecules Using the Resolution of the Identity Approximation},
+	volume = 113,
+	year = 2000}
 
 @article{Hattig12,
-	Author = {C. Hattig and W. Klopper and A. Kohn and D. P. Tew},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Chem. Rev.},
-	Pages = {4},
-	Volume = {112},
-	Year = {2012}}
+	author = {C. Hattig and W. Klopper and A. Kohn and D. P. Tew},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Chem. Rev.},
+	pages = {4},
+	volume = {112},
+	year = {2012}}
 
 @article{Hay_1974,
-	Author = {Hay, P. Jeffrey and Shavitt, Isaiah},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.1681456},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = apr,
-	Number = {7},
-	Pages = {2865-2877},
-	Title = {{\emph{Ab Initio}} Configuration Interaction Studies of the $\pi$-Electron States of Benzene},
-	Volume = {60},
-	Year = {1974},
+	author = {Hay, P. Jeffrey and Shavitt, Isaiah},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.1681456},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = apr,
+	number = {7},
+	pages = {2865-2877},
+	title = {{\emph{Ab Initio}} Configuration Interaction Studies of the $\pi$-Electron States of Benzene},
+	volume = {60},
+	year = {1974},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1681456}}
 
 @article{Head-Gordon_1994,
-	Author = {M. Head-Gordon and R. J. Rico and M. Oumi and T. J. Lee},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Chem. Phys. Lett.},
-	Title = {A Doubles Correction To Electronic Excited States From Configuration Interaction In The Space Of Single Substitutions},
-	Year = {1994}}
+	author = {M. Head-Gordon and R. J. Rico and M. Oumi and T. J. Lee},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Chem. Phys. Lett.},
+	title = {A Doubles Correction To Electronic Excited States From Configuration Interaction In The Space Of Single Substitutions},
+	year = {1994}}
 
 @article{Head-Gordon_1995,
-	Author = {Head-Gordon, M. and Maurice, D. and Oumi, M.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Chem. Phys. Lett.},
-	Pages = {114--121},
-	Title = {A Perturbative Correction to Restricted Open-Shell Configuration-Interaction with Single Substitutions for Excited-States of Radicals},
-	Volume = {246},
-	Year = {1995}}
+	author = {Head-Gordon, M. and Maurice, D. and Oumi, M.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Chem. Phys. Lett.},
+	pages = {114--121},
+	title = {A Perturbative Correction to Restricted Open-Shell Configuration-Interaction with Single Substitutions for Excited-States of Radicals},
+	volume = {246},
+	year = {1995}}
 
 @article{Helbig_2011,
-	Author = {Helbig, N. and Fuks, J.I. and Tokatly, I.V. and Appel, H. and Gross, E.K.U. and Rubio, A.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/j.chemphys.2011.06.010},
-	Issn = {03010104},
-	Journal = {Chem. Phys.},
-	Language = {en},
-	Month = nov,
-	Number = {1},
-	Pages = {1-10},
-	Shorttitle = {Time-Dependent Density-Functional and Reduced Density-Matrix Methods for Few Electrons},
-	Title = {Time-Dependent Density-Functional and Reduced Density-Matrix Methods for Few Electrons: {{Exact}} versus Adiabatic Approximations},
-	Volume = {391},
-	Year = {2011},
+	author = {Helbig, N. and Fuks, J.I. and Tokatly, I.V. and Appel, H. and Gross, E.K.U. and Rubio, A.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/j.chemphys.2011.06.010},
+	issn = {03010104},
+	journal = {Chem. Phys.},
+	language = {en},
+	month = nov,
+	number = {1},
+	pages = {1-10},
+	shorttitle = {Time-Dependent Density-Functional and Reduced Density-Matrix Methods for Few Electrons},
+	title = {Time-Dependent Density-Functional and Reduced Density-Matrix Methods for Few Electrons: {{Exact}} versus Adiabatic Approximations},
+	volume = {391},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1016/j.chemphys.2011.06.010}}
 
 @book{Helgakerbook,
-	Author = {T. Helgaker and P. J{\o}rgensen and J. Olsen},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Owner = {joshua},
-	Publisher = {John Wiley \& Sons, Inc.},
-	Timestamp = {2014.11.24},
-	Title = {Molecular Electronic-Structure Theory},
-	Year = {2013}}
+	author = {T. Helgaker and P. J{\o}rgensen and J. Olsen},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	owner = {joshua},
+	publisher = {John Wiley \& Sons, Inc.},
+	timestamp = {2014.11.24},
+	title = {Molecular Electronic-Structure Theory},
+	year = {2013}}
 
 @article{Hirao_1983,
-	Author = {Hirao, K.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.445594},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = nov,
-	Number = {10},
-	Pages = {5000-5010},
-	Title = {Direct Cluster Expansion Method. {{Application}} to Glyoxal},
-	Volume = {79},
-	Year = {1983},
+	author = {Hirao, K.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.445594},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = nov,
+	number = {10},
+	pages = {5000-5010},
+	title = {Direct Cluster Expansion Method. {{Application}} to Glyoxal},
+	volume = {79},
+	year = {1983},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.445594}}
 
 @article{Hirata_2000,
-	Author = {Hirata, So and Nooijen, Marcel and Bartlett, Rodney J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/S0009-2614(00)00772-7},
-	Issn = {00092614},
-	Journal = {Chem. Phys. Lett.},
-	Language = {en},
-	Month = aug,
-	Number = {3-4},
-	Pages = {255-262},
-	Title = {High-Order Determinantal Equation-of-Motion Coupled-Cluster Calculations for Electronic Excited States},
-	Volume = {326},
-	Year = {2000},
+	author = {Hirata, So and Nooijen, Marcel and Bartlett, Rodney J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/S0009-2614(00)00772-7},
+	issn = {00092614},
+	journal = {Chem. Phys. Lett.},
+	language = {en},
+	month = aug,
+	number = {3-4},
+	pages = {255-262},
+	title = {High-Order Determinantal Equation-of-Motion Coupled-Cluster Calculations for Electronic Excited States},
+	volume = {326},
+	year = {2000},
 	Bdsk-Url-1 = {https://doi.org/10.1016/S0009-2614(00)00772-7}}
 
 @article{Hollauer_1991,
-	Author = {Hollauer, Eduardo and Nascimento, Marco Antonio Chaer},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/0009-2614(91)90381-I},
-	Issn = {00092614},
-	Journal = {Chem. Phys. Lett.},
-	Language = {en},
-	Month = jul,
-	Number = {5},
-	Pages = {463-466},
-	Title = {A {{CASSCF}} Description of the N$\pi$* Singlet and Triplet Electronic Excited States of the Trans-Glyoxal Molecule},
-	Volume = {181},
-	Year = {1991},
+	author = {Hollauer, Eduardo and Nascimento, Marco Antonio Chaer},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/0009-2614(91)90381-I},
+	issn = {00092614},
+	journal = {Chem. Phys. Lett.},
+	language = {en},
+	month = jul,
+	number = {5},
+	pages = {463-466},
+	title = {A {{CASSCF}} Description of the N$\pi$* Singlet and Triplet Electronic Excited States of the Trans-Glyoxal Molecule},
+	volume = {181},
+	year = {1991},
 	Bdsk-Url-1 = {https://doi.org/10.1016/0009-2614(91)90381-I}}
 
 @article{Holmes_2016,
-	Author = {Holmes, Adam A. and Tubman, Norm M. and Umrigar, C. J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/acs.jctc.6b00407},
-	Issn = {1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Month = {Aug},
-	Number = {8},
-	Pages = {3674--3680},
-	Publisher = {American Chemical Society (ACS)},
-	Title = {Heat-Bath Configuration Interaction: An Efficient Selected Configuration Interaction Algorithm Inspired by Heat-Bath Sampling},
-	Url = {http://dx.doi.org/10.1021/acs.jctc.6b00407},
-	Volume = {12},
-	Year = {2016},
+	author = {Holmes, Adam A. and Tubman, Norm M. and Umrigar, C. J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/acs.jctc.6b00407},
+	issn = {1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	month = {Aug},
+	number = {8},
+	pages = {3674--3680},
+	publisher = {American Chemical Society (ACS)},
+	title = {Heat-Bath Configuration Interaction: An Efficient Selected Configuration Interaction Algorithm Inspired by Heat-Bath Sampling},
+	url = {http://dx.doi.org/10.1021/acs.jctc.6b00407},
+	volume = {12},
+	year = {2016},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1021/acs.jctc.6b00407}}
 
 @article{Holmes_2017,
-	Author = {Holmes, Adam A. and Umrigar, C. J. and Sharma, Sandeep},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4998614},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Oct},
-	Number = {16},
-	Pages = {164111},
-	Publisher = {AIP Publishing},
-	Title = {Excited states using semistochastic heat-bath configuration interaction},
-	Url = {http://dx.doi.org/10.1063/1.4998614},
-	Volume = {147},
-	Year = {2017},
+	author = {Holmes, Adam A. and Umrigar, C. J. and Sharma, Sandeep},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4998614},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Oct},
+	number = {16},
+	pages = {164111},
+	publisher = {AIP Publishing},
+	title = {Excited states using semistochastic heat-bath configuration interaction},
+	url = {http://dx.doi.org/10.1063/1.4998614},
+	volume = {147},
+	year = {2017},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4998614}}
 
 @article{Hoyer_2016,
-	Author = {Hoyer, Chad E. and Ghosh, Soumen and Truhlar, Donald G. and Gagliardi, Laura},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/acs.jpclett.5b02773},
-	Journal = {J. Phys. Chem. Lett.},
-	Number = {3},
-	Pages = {586-591},
-	Title = {Multiconfiguration Pair-Density Functional Theory Is as Accurate as CASPT2 for Electronic Excitation},
-	Url = {http://dx.doi.org/10.1021/acs.jpclett.5b02773},
-	Volume = {7},
-	Year = {2016},
+	author = {Hoyer, Chad E. and Ghosh, Soumen and Truhlar, Donald G. and Gagliardi, Laura},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/acs.jpclett.5b02773},
+	journal = {J. Phys. Chem. Lett.},
+	number = {3},
+	pages = {586-591},
+	title = {Multiconfiguration Pair-Density Functional Theory Is as Accurate as CASPT2 for Electronic Excitation},
+	url = {http://dx.doi.org/10.1021/acs.jpclett.5b02773},
+	volume = {7},
+	year = {2016},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1021/acs.jpclett.5b02773}}
 
 @article{Hsu_2001,
-	Author = {Hsu, Chao-Ping and Hirata, So and {Head-Gordon}, Martin},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/jp0024367},
-	File = {/Users/loos/Zotero/storage/I6XQ5V25/Hsu et al. - 2001 - Excitation Energies from Time-Dependent Density Fu.pdf},
-	Issn = {1089-5639, 1520-5215},
-	Journal = {J. Phys. Chem. A},
-	Language = {en},
-	Month = jan,
-	Number = {2},
-	Pages = {451-458},
-	Shorttitle = {Excitation {{Energies}} from {{Time}}-{{Dependent Density Functional Theory}} for {{Linear Polyene Oligomers}}},
-	Title = {Excitation {{Energies}} from {{Time}}-{{Dependent Density Functional Theory}} for {{Linear Polyene Oligomers}}: {{Butadiene}} to {{Decapentaene}}},
-	Volume = {105},
-	Year = {2001},
+	author = {Hsu, Chao-Ping and Hirata, So and {Head-Gordon}, Martin},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/jp0024367},
+	file = {/Users/loos/Zotero/storage/I6XQ5V25/Hsu et al. - 2001 - Excitation Energies from Time-Dependent Density Fu.pdf},
+	issn = {1089-5639, 1520-5215},
+	journal = {J. Phys. Chem. A},
+	language = {en},
+	month = jan,
+	number = {2},
+	pages = {451-458},
+	shorttitle = {Excitation {{Energies}} from {{Time}}-{{Dependent Density Functional Theory}} for {{Linear Polyene Oligomers}}},
+	title = {Excitation {{Energies}} from {{Time}}-{{Dependent Density Functional Theory}} for {{Linear Polyene Oligomers}}: {{Butadiene}} to {{Decapentaene}}},
+	volume = {105},
+	year = {2001},
 	Bdsk-Url-1 = {https://doi.org/10.1021/jp0024367}}
 
 @article{Hubner_1998,
-	Author = {H{\"u}bner, Olaf and Termath, Volker and Berning, Andreas and Sauer, Joachim},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
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-	Issn = {0009-2614},
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-	Pages = {37--44},
-	Publisher = {Elsevier BV},
-	Title = {A CASSCF/ACPF study of spectroscopic properties of FeS and FeS− and the photoelectron spectrum of FeS−},
-	Url = {http://dx.doi.org/10.1016/S0009-2614(98)00792-1},
-	Volume = {294},
-	Year = {1998},
+	author = {H{\"u}bner, Olaf and Termath, Volker and Berning, Andreas and Sauer, Joachim},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/s0009-2614(98)00792-1},
+	issn = {0009-2614},
+	journal = {Chem. Phys. Lett.},
+	month = {Sep},
+	number = {1-3},
+	pages = {37--44},
+	publisher = {Elsevier BV},
+	title = {A CASSCF/ACPF study of spectroscopic properties of FeS and FeS− and the photoelectron spectrum of FeS−},
+	url = {http://dx.doi.org/10.1016/S0009-2614(98)00792-1},
+	volume = {294},
+	year = {1998},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1016/S0009-2614(98)00792-1},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1016/s0009-2614(98)00792-1}}
 
 @article{Huron_1973,
-	Author = {Huron, B. and Malrieu, J. P. and Rancurel, P.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
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-	Issn = {1089-7690},
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-	Publisher = {AIP Publishing},
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-	Url = {http://dx.doi.org/10.1063/1.1679199},
-	Volume = {58},
-	Year = {1973},
+	author = {Huron, B. and Malrieu, J. P. and Rancurel, P.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.1679199},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Jun},
+	number = {12},
+	pages = {5745--5759},
+	publisher = {AIP Publishing},
+	title = {Iterative perturbation calculations of ground and excited state energies from multiconfigurational zeroth‐order wavefunctions},
+	url = {http://dx.doi.org/10.1063/1.1679199},
+	volume = {58},
+	year = {1973},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.1679199}}
 
 @article{Hylleraas_1930,
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-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Z. Phys.},
-	Pages = {759},
-	Volume = {65},
-	Year = {1930}}
+	author = {E. Hylleraas and B. Undheim},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Z. Phys.},
+	pages = {759},
+	volume = {65},
+	year = {1930}}
 
 @article{Illas_1988,
-	Author = {Illas, F. and Rubio, J. and Ricart, J. M.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.455405},
-	File = {1.455405.pdf:/home/scemama/Dropbox/Zotero/storage/DYD93IM9/1.455405.pdf:application/pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = nov,
-	Number = {10},
-	Pages = {6376--6384},
-	Title = {Approximate natural orbitals and the convergence of a second order multireference many‐body perturbation theory ({CIPSI}) algorithm},
-	Url = {http://aip.scitation.org/doi/10.1063/1.455405},
-	Urldate = {2017-11-14},
-	Volume = {89},
-	Year = {1988},
+	author = {Illas, F. and Rubio, J. and Ricart, J. M.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.455405},
+	file = {1.455405.pdf:/home/scemama/Dropbox/Zotero/storage/DYD93IM9/1.455405.pdf:application/pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = nov,
+	number = {10},
+	pages = {6376--6384},
+	title = {Approximate natural orbitals and the convergence of a second order multireference many‐body perturbation theory ({CIPSI}) algorithm},
+	url = {http://aip.scitation.org/doi/10.1063/1.455405},
+	urldate = {2017-11-14},
+	volume = {89},
+	year = {1988},
 	Bdsk-Url-1 = {http://aip.scitation.org/doi/10.1063/1.455405},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.455405}}
 
 @article{Innes_1988,
-	Author = {Innes, K.K. and Ross, I.G. and Moomaw, William R.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
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-	Journal = {J. Mol. Spectrosc.},
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-	Pages = {492-544},
-	Shorttitle = {Electronic States of Azabenzenes and Azanaphthalenes},
-	Title = {Electronic States of Azabenzenes and Azanaphthalenes: {{A}} Revised and Extended Critical Review},
-	Volume = {132},
-	Year = {1988},
+	author = {Innes, K.K. and Ross, I.G. and Moomaw, William R.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/0022-2852(88)90343-8},
+	issn = {00222852},
+	journal = {J. Mol. Spectrosc.},
+	language = {en},
+	month = dec,
+	number = {2},
+	pages = {492-544},
+	shorttitle = {Electronic States of Azabenzenes and Azanaphthalenes},
+	title = {Electronic States of Azabenzenes and Azanaphthalenes: {{A}} Revised and Extended Critical Review},
+	volume = {132},
+	year = {1988},
 	Bdsk-Url-1 = {https://doi.org/10.1016/0022-2852(88)90343-8}}
 
 @article{Ishii_2003,
-	Author = {H. Ishii and H. Kataura and H. Shiozawa and H. Yoshioka and H. Otsubo and Y. Takayama and T. Miyahara and S. Suzuki and Y. Achiba and M. Nakatake and T. Narimura and M. Higashiguchi and K. Shimada and H. Namatame and M. Taniguchi},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1038/nature02074},
-	Journal = {Nature},
-	Pages = {540},
-	Title = {Direct observation of Tomonaga-Luttinger-liquid state in carbon nanotubes at low temperatures},
-	Volume = {426},
-	Year = {2003},
+	author = {H. Ishii and H. Kataura and H. Shiozawa and H. Yoshioka and H. Otsubo and Y. Takayama and T. Miyahara and S. Suzuki and Y. Achiba and M. Nakatake and T. Narimura and M. Higashiguchi and K. Shimada and H. Namatame and M. Taniguchi},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1038/nature02074},
+	journal = {Nature},
+	pages = {540},
+	title = {Direct observation of Tomonaga-Luttinger-liquid state in carbon nanotubes at low temperatures},
+	volume = {426},
+	year = {2003},
 	Bdsk-Url-1 = {https://doi.org/10.1038/nature02074}}
 
 @article{Kallay_2004,
-	Author = {K{\'a}llay, Mih{\'a}ly and Gauss, J{\"u}rgen},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {http://dx.doi.org/10.1063/1.1805494},
-	Journal = {J. Chem. Phys.},
-	Number = {19},
-	Pages = {9257-9269},
-	Title = {Calculation of Excited-State Properties Using General Coupled-Cluster and Configuration-Interaction Models},
-	Url = {http://scitation.aip.org/content/aip/journal/jcp/121/19/10.1063/1.1805494},
-	Volume = {121},
-	Year = {2004},
+	author = {K{\'a}llay, Mih{\'a}ly and Gauss, J{\"u}rgen},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {http://dx.doi.org/10.1063/1.1805494},
+	journal = {J. Chem. Phys.},
+	number = {19},
+	pages = {9257-9269},
+	title = {Calculation of Excited-State Properties Using General Coupled-Cluster and Configuration-Interaction Models},
+	url = {http://scitation.aip.org/content/aip/journal/jcp/121/19/10.1063/1.1805494},
+	volume = {121},
+	year = {2004},
 	Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/121/19/10.1063/1.1805494},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1805494}}
 
 @article{Kalos_1974,
-	Author = {M. H. Kalos and D. Levesque and L. Verlet},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Phys. Rev. A},
-	Pages = {2178},
-	Volume = {9},
-	Year = {1974}}
+	author = {M. H. Kalos and D. Levesque and L. Verlet},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Phys. Rev. A},
+	pages = {2178},
+	volume = {9},
+	year = {1974}}
 
 @article{Kannengiesser_2014,
-	Author = {Kannengie{\ss}er, Raphaela and Klahm, Sebastian and Vinh Lam Nguyen, Ha and L{\"u}chow, Arne and Stahl, Wolfgang},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4901980},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Nov},
-	Number = {20},
-	Pages = {204308},
-	Publisher = {AIP Publishing},
-	Title = {The effects of methyl internal rotation and 14N quadrupole coupling in the microwave spectra of two conformers of N,N-diethylacetamide},
-	Url = {http://dx.doi.org/10.1063/1.4901980},
-	Volume = {141},
-	Year = {2014},
+	author = {Kannengie{\ss}er, Raphaela and Klahm, Sebastian and Vinh Lam Nguyen, Ha and L{\"u}chow, Arne and Stahl, Wolfgang},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4901980},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Nov},
+	number = {20},
+	pages = {204308},
+	publisher = {AIP Publishing},
+	title = {The effects of methyl internal rotation and 14N quadrupole coupling in the microwave spectra of two conformers of N,N-diethylacetamide},
+	url = {http://dx.doi.org/10.1063/1.4901980},
+	volume = {141},
+	year = {2014},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4901980}}
 
 @article{Kazaryan_2008,
-	Author = {Kazaryan, Andranik and Heuver, Jeroen and Filatov, Michael},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/jp8033837},
-	File = {/Users/loos/Zotero/storage/Z4NLZBMD/Kazaryan et al. - 2008 - Excitation Energies from Spin-Restricted Ensemble-.pdf},
-	Issn = {1089-5639, 1520-5215},
-	Journal = {J. Phys. Chem. A},
-	Language = {en},
-	Month = dec,
-	Number = {50},
-	Pages = {12980-12988},
-	Shorttitle = {Excitation {{Energies}} from {{Spin}}-{{Restricted Ensemble}}-{{Referenced Kohn}}-{{Sham Method}}},
-	Title = {Excitation {{Energies}} from {{Spin}}-{{Restricted Ensemble}}-{{Referenced Kohn}}-{{Sham Method}}: {{A State}}-{{Average Approach}} {\textsuperscript{\textdagger}}},
-	Volume = {112},
-	Year = {2008},
+	author = {Kazaryan, Andranik and Heuver, Jeroen and Filatov, Michael},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/jp8033837},
+	file = {/Users/loos/Zotero/storage/Z4NLZBMD/Kazaryan et al. - 2008 - Excitation Energies from Spin-Restricted Ensemble-.pdf},
+	issn = {1089-5639, 1520-5215},
+	journal = {J. Phys. Chem. A},
+	language = {en},
+	month = dec,
+	number = {50},
+	pages = {12980-12988},
+	shorttitle = {Excitation {{Energies}} from {{Spin}}-{{Restricted Ensemble}}-{{Referenced Kohn}}-{{Sham Method}}},
+	title = {Excitation {{Energies}} from {{Spin}}-{{Restricted Ensemble}}-{{Referenced Kohn}}-{{Sham Method}}: {{A State}}-{{Average Approach}} {\textsuperscript{\textdagger}}},
+	volume = {112},
+	year = {2008},
 	Bdsk-Url-1 = {https://doi.org/10.1021/jp8033837}}
 
 @article{Kazaryan_2008a,
-	Author = {Kazaryan, Andranik and Heuver, Jeroen and Filatov, Michael},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/jp8033837},
-	File = {/Users/loos/Zotero/storage/QWBJKBS3/Kazaryan et al. - 2008 - Excitation Energies from Spin-Restricted Ensemble-.pdf},
-	Issn = {1089-5639, 1520-5215},
-	Journal = {J. Phys. Chem. A},
-	Language = {en},
-	Month = dec,
-	Number = {50},
-	Pages = {12980-12988},
-	Shorttitle = {Excitation {{Energies}} from {{Spin}}-{{Restricted Ensemble}}-{{Referenced Kohn}}-{{Sham Method}}},
-	Title = {Excitation {{Energies}} from {{Spin}}-{{Restricted Ensemble}}-{{Referenced Kohn}}-{{Sham Method}}: {{A State}}-{{Average Approach}} {\textsuperscript{\textdagger}}},
-	Volume = {112},
-	Year = {2008},
+	author = {Kazaryan, Andranik and Heuver, Jeroen and Filatov, Michael},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/jp8033837},
+	file = {/Users/loos/Zotero/storage/QWBJKBS3/Kazaryan et al. - 2008 - Excitation Energies from Spin-Restricted Ensemble-.pdf},
+	issn = {1089-5639, 1520-5215},
+	journal = {J. Phys. Chem. A},
+	language = {en},
+	month = dec,
+	number = {50},
+	pages = {12980-12988},
+	shorttitle = {Excitation {{Energies}} from {{Spin}}-{{Restricted Ensemble}}-{{Referenced Kohn}}-{{Sham Method}}},
+	title = {Excitation {{Energies}} from {{Spin}}-{{Restricted Ensemble}}-{{Referenced Kohn}}-{{Sham Method}}: {{A State}}-{{Average Approach}} {\textsuperscript{\textdagger}}},
+	volume = {112},
+	year = {2008},
 	Bdsk-Url-1 = {https://doi.org/10.1021/jp8033837}}
 
 @article{Kitao_1987,
-	Author = {Kitao, O. and Nakatsuji, H.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
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-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = jul,
-	Number = {2},
-	Pages = {1169-1182},
-	Title = {Cluster Expansion of the Wave Function. {{Valence}} and {{Rydberg}} Excitations and Ionizations of Benzene},
-	Volume = {87},
-	Year = {1987},
+	author = {Kitao, O. and Nakatsuji, H.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.453297},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = jul,
+	number = {2},
+	pages = {1169-1182},
+	title = {Cluster Expansion of the Wave Function. {{Valence}} and {{Rydberg}} Excitations and Ionizations of Benzene},
+	volume = {87},
+	year = {1987},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.453297}}
 
 @article{Kitao_1988,
-	Author = {Kitao, O. and Nakatsuji, H.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/0009-2614(88)87060-X},
-	Issn = {00092614},
-	Journal = {Chem. Phys. Lett.},
-	Language = {en},
-	Month = feb,
-	Number = {6},
-	Pages = {528-534},
-	Shorttitle = {Cluster Expansion of the Wavefunction},
-	Title = {Cluster Expansion of the Wavefunction: {{Valence}} and {{Rydberg}} Excitations of Trans- and Cis-Butadiene},
-	Volume = {143},
-	Year = {1988},
+	author = {Kitao, O. and Nakatsuji, H.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/0009-2614(88)87060-X},
+	issn = {00092614},
+	journal = {Chem. Phys. Lett.},
+	language = {en},
+	month = feb,
+	number = {6},
+	pages = {528-534},
+	shorttitle = {Cluster Expansion of the Wavefunction},
+	title = {Cluster Expansion of the Wavefunction: {{Valence}} and {{Rydberg}} Excitations of Trans- and Cis-Butadiene},
+	volume = {143},
+	year = {1988},
 	Bdsk-Url-1 = {https://doi.org/10.1016/0009-2614(88)87060-X}}
 
 @article{Klahm_2014,
-	Author = {Klahm, Sebastian and L{\"u}chow, Arne},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
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-	Journal = {Chem. Phys. Lett.},
-	Month = {Apr},
-	Pages = {7--9},
-	Publisher = {Elsevier BV},
-	Title = {Accurate rotational barrier calculations with diffusion quantum Monte Carlo},
-	Url = {http://dx.doi.org/10.1016/j.cplett.2014.03.044},
-	Volume = {600},
-	Year = {2014},
+	author = {Klahm, Sebastian and L{\"u}chow, Arne},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/j.cplett.2014.03.044},
+	issn = {0009-2614},
+	journal = {Chem. Phys. Lett.},
+	month = {Apr},
+	pages = {7--9},
+	publisher = {Elsevier BV},
+	title = {Accurate rotational barrier calculations with diffusion quantum Monte Carlo},
+	url = {http://dx.doi.org/10.1016/j.cplett.2014.03.044},
+	volume = {600},
+	year = {2014},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1016/j.cplett.2014.03.044}}
 
 @article{Klein_1976,
-	Author = {D. J. Klein and H. M. Pickett},
-	Date-Added = {2020-01-01 21:36:51 +0100},
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-	Journal = {J. Chem. Phys.},
-	Pages = {4811},
-	Volume = {64},
-	Year = {1976}}
+	author = {D. J. Klein and H. M. Pickett},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {J. Chem. Phys.},
+	pages = {4811},
+	volume = {64},
+	year = {1976}}
 
 @inbook{Klessinger_1995,
-	Address = {New York},
-	Author = {Klessinger, Martin and Michl, Josef},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Isbn = {978-1-56081-588-4 978-0-471-18576-5},
-	Note = {OCLC: 27226211},
-	Publisher = {{VCH}},
-	Title = {Excited States and Photochemistry of Organic Molecules},
-	Year = {1995}}
+	address = {New York},
+	author = {Klessinger, Martin and Michl, Josef},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	isbn = {978-1-56081-588-4 978-0-471-18576-5},
+	note = {OCLC: 27226211},
+	publisher = {{VCH}},
+	title = {Excited States and Photochemistry of Organic Molecules},
+	year = {1995}}
 
 @article{Knowles_1984,
-	Author = {P. J. Knowles and N. C. Handy},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Chem. Phys. Lett.},
-	Keywords = {correlation},
-	Pages = {315--321},
-	Title = {A new determinant-based full configuration interaction method},
-	Volume = {111},
-	Year = {1984}}
+	author = {P. J. Knowles and N. C. Handy},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Chem. Phys. Lett.},
+	keywords = {correlation},
+	pages = {315--321},
+	title = {A new determinant-based full configuration interaction method},
+	volume = {111},
+	year = {1984}}
 
 @article{Knowles_2015,
-	Author = {Knowles, Peter J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
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-	Month = {Jan},
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-	Pages = {1655--1660},
-	Publisher = {Informa UK Limited},
-	Title = {Compressive sampling in configuration interaction wavefunctions},
-	Url = {http://dx.doi.org/10.1080/00268976.2014.1003621},
-	Volume = {113},
-	Year = {2015},
+	author = {Knowles, Peter J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1080/00268976.2014.1003621},
+	issn = {1362-3028},
+	journal = {Mol. Phys.},
+	month = {Jan},
+	number = {13-14},
+	pages = {1655--1660},
+	publisher = {Informa UK Limited},
+	title = {Compressive sampling in configuration interaction wavefunctions},
+	url = {http://dx.doi.org/10.1080/00268976.2014.1003621},
+	volume = {113},
+	year = {2015},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1080/00268976.2014.1003621}}
 
 @article{Koch_1990,
-	Author = {Koch, Henrik and Jensen, Hans Jo/rgen Aa. and Jo/rgensen, Poul and Helgaker, Trygve},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.458815},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = sep,
-	Number = {5},
-	Pages = {3345-3350},
-	Title = {Excitation Energies from the Coupled Cluster Singles and Doubles Linear Response Function ({{CCSDLR}}). {{Applications}} to {{Be}}, {{CH}} {\textsuperscript{+}} , {{CO}}, and {{H}} {\textsubscript{2}} {{O}}},
-	Volume = {93},
-	Year = {1990},
+	author = {Koch, Henrik and Jensen, Hans Jo/rgen Aa. and Jo/rgensen, Poul and Helgaker, Trygve},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.458815},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = sep,
+	number = {5},
+	pages = {3345-3350},
+	title = {Excitation Energies from the Coupled Cluster Singles and Doubles Linear Response Function ({{CCSDLR}}). {{Applications}} to {{Be}}, {{CH}} {\textsuperscript{+}} , {{CO}}, and {{H}} {\textsubscript{2}} {{O}}},
+	volume = {93},
+	year = {1990},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.458815}}
 
 @article{Koch_1997,
-	Author = {Koch, Henrik and Christiansen, Ove and Jorgensen, Poul and Sanchez de Mer{\'a}s, Alfredo M. and Helgaker, Trygve},
-	Date-Added = {2020-01-01 21:36:51 +0100},
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-	Journal = {J. Chem. Phys.},
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-	Pages = {1808--1818},
-	Title = {The CC3 Model: An Iterative Coupled Cluster Approach Including Connected Triples},
-	Url = {http://scitation.aip.org/content/aip/journal/jcp/106/5/10.1063/1.473322},
-	Volume = {106},
-	Year = {1997},
+	author = {Koch, Henrik and Christiansen, Ove and Jorgensen, Poul and Sanchez de Mer{\'a}s, Alfredo M. and Helgaker, Trygve},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {http://dx.doi.org/10.1063/1.473322},
+	journal = {J. Chem. Phys.},
+	number = {5},
+	pages = {1808--1818},
+	title = {The CC3 Model: An Iterative Coupled Cluster Approach Including Connected Triples},
+	url = {http://scitation.aip.org/content/aip/journal/jcp/106/5/10.1063/1.473322},
+	volume = {106},
+	year = {1997},
 	Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/106/5/10.1063/1.473322},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.473322}}
 
 @article{Koga_1999,
-	Author = {Koga, Toshikatsu and Tatewaki, Hiroshi and Matsuyama, Hisashi and Satoh, Yasuharu},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1007/s002140050479},
-	Issn = {1432-2234},
-	Journal = {Theor. Chem. Acc.},
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-	Number = {1-6},
-	Pages = {105--111},
-	Publisher = {Springer Nature},
-	Title = {Contracted Gaussian-type basis functions revisited. III. Atoms K through Kr},
-	Url = {http://dx.doi.org/10.1007/s002140050479},
-	Volume = {102},
-	Year = {1999},
+	author = {Koga, Toshikatsu and Tatewaki, Hiroshi and Matsuyama, Hisashi and Satoh, Yasuharu},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1007/s002140050479},
+	issn = {1432-2234},
+	journal = {Theor. Chem. Acc.},
+	month = {Jun},
+	number = {1-6},
+	pages = {105--111},
+	publisher = {Springer Nature},
+	title = {Contracted Gaussian-type basis functions revisited. III. Atoms K through Kr},
+	url = {http://dx.doi.org/10.1007/s002140050479},
+	volume = {102},
+	year = {1999},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1007/s002140050479}}
 
 @article{Kohn_1986,
-	Author = {Kohn, Walter},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.34.737},
-	File = {/Users/loos/Zotero/storage/5LC78TCX/Kohn - 1986 - Density-functional theory for excited states in a .pdf},
-	Issn = {0556-2791},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = aug,
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-	Pages = {737-741},
-	Title = {Density-Functional Theory for Excited States in a Quasi-Local-Density Approximation},
-	Volume = {34},
-	Year = {1986},
+	author = {Kohn, Walter},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.34.737},
+	file = {/Users/loos/Zotero/storage/5LC78TCX/Kohn - 1986 - Density-functional theory for excited states in a .pdf},
+	issn = {0556-2791},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = aug,
+	number = {2},
+	pages = {737-741},
+	title = {Density-Functional Theory for Excited States in a Quasi-Local-Density Approximation},
+	volume = {34},
+	year = {1986},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.34.737}}
 
 @article{Kolorenc_2011,
-	Author = {J. Kolorenc and L. Mitas},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Rep. Prog. Phys.},
-	Pages = {026502},
-	Volume = {74},
-	Year = {2011}}
+	author = {J. Kolorenc and L. Mitas},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Rep. Prog. Phys.},
+	pages = {026502},
+	volume = {74},
+	year = {2011}}
 
 @article{Kong12,
-	Author = {L. Kong and F. A. Bischo and E. F. Valeev},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Chem. Rev.},
-	Pages = {75},
-	Volume = {112},
-	Year = {2012}}
+	author = {L. Kong and F. A. Bischo and E. F. Valeev},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Chem. Rev.},
+	pages = {75},
+	volume = {112},
+	year = {2012}}
 
 @article{Kraisler_2014,
-	Author = {Kraisler, Eli and Kronik, Leeor},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4871462},
-	File = {/Users/loos/Zotero/storage/SLYF4MBS/Kraisler and Kronik - 2014 - Fundamental gaps with approximate density function.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = may,
-	Number = {18},
-	Pages = {18A540},
-	Shorttitle = {Fundamental Gaps with Approximate Density Functionals},
-	Title = {Fundamental Gaps with Approximate Density Functionals: {{The}} Derivative Discontinuity Revealed from Ensemble Considerations},
-	Volume = {140},
-	Year = {2014},
+	author = {Kraisler, Eli and Kronik, Leeor},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4871462},
+	file = {/Users/loos/Zotero/storage/SLYF4MBS/Kraisler and Kronik - 2014 - Fundamental gaps with approximate density function.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = may,
+	number = {18},
+	pages = {18A540},
+	shorttitle = {Fundamental Gaps with Approximate Density Functionals},
+	title = {Fundamental Gaps with Approximate Density Functionals: {{The}} Derivative Discontinuity Revealed from Ensemble Considerations},
+	volume = {140},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4871462}}
 
 @article{Krogel_2016,
-	Author = {Krogel, Jaron T. and Santana, Juan A. and Reboredo, Fernando A.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
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-	Issue = {7},
-	Journal = {Phys. Rev. B},
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-	Numpages = {10},
-	Pages = {075143},
-	Publisher = {American Physical Society},
-	Title = {Pseudopotentials for quantum Monte Carlo studies of transition metal oxides},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.93.075143},
-	Volume = {93},
-	Year = {2016},
+	author = {Krogel, Jaron T. and Santana, Juan A. and Reboredo, Fernando A.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevB.93.075143},
+	issue = {7},
+	journal = {Phys. Rev. B},
+	month = {Feb},
+	numpages = {10},
+	pages = {075143},
+	publisher = {American Physical Society},
+	title = {Pseudopotentials for quantum Monte Carlo studies of transition metal oxides},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.93.075143},
+	volume = {93},
+	year = {2016},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.93.075143},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.93.075143}}
 
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-	Author = {Krylov, Anna I.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
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-	Shorttitle = {Spin-Flip Configuration Interaction},
-	Title = {Spin-Flip Configuration Interaction: An Electronic Structure Model That Is Both Variational and Size-Consistent},
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-	Year = {2001},
+	author = {Krylov, Anna I.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/S0009-2614(01)01316-1},
+	issn = {00092614},
+	journal = {Chem. Phys. Lett.},
+	language = {en},
+	month = dec,
+	number = {5-6},
+	pages = {522-530},
+	shorttitle = {Spin-Flip Configuration Interaction},
+	title = {Spin-Flip Configuration Interaction: An Electronic Structure Model That Is Both Variational and Size-Consistent},
+	volume = {350},
+	year = {2001},
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-	Date-Added = {2020-01-01 21:36:51 +0100},
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-	Url = {https://doi.org/10.1007/BF01117419},
-	Volume = {80},
-	Year = {1991},
+	author = {Kucharski, Stanislaw A. and Bartlett, Rodney J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	day = {01},
+	doi = {10.1007/BF01117419},
+	issn = {1432-2234},
+	journal = {Theor. Chim. Acta},
+	month = {Jul},
+	number = {4},
+	pages = {387--405},
+	title = {Recursive Intermediate Factorization and Complete Computational Linearization of the Coupled-Cluster Single, Double, Triple, and Quadruple Excitation Equations},
+	url = {https://doi.org/10.1007/BF01117419},
+	volume = {80},
+	year = {1991},
 	Bdsk-Url-1 = {https://doi.org/10.1007/BF01117419}}
 
 @article{Kulahlioglu_2014,
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-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
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-	File = {/Users/loos/Zotero/storage/ZEQVYDYX/Kulahlioglu et al. - 2014 - Density dependence of fixed-node errors in diffusi.pdf},
-	Issn = {00092614},
-	Journal = {Chem. Phys. Lett.},
-	Language = {en},
-	Month = jan,
-	Pages = {170-174},
-	Shorttitle = {Density Dependence of Fixed-Node Errors in Diffusion Quantum {{Monte Carlo}}},
-	Title = {Density Dependence of Fixed-Node Errors in Diffusion Quantum {{Monte Carlo}}: {{Triplet}} Pair Correlations},
-	Volume = {591},
-	Year = {2014},
+	author = {Kulahlioglu, Adem H. and Rasch, Kevin and Hu, Shuming and Mitas, Lubos},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/j.cplett.2013.11.033},
+	file = {/Users/loos/Zotero/storage/ZEQVYDYX/Kulahlioglu et al. - 2014 - Density dependence of fixed-node errors in diffusi.pdf},
+	issn = {00092614},
+	journal = {Chem. Phys. Lett.},
+	language = {en},
+	month = jan,
+	pages = {170-174},
+	shorttitle = {Density Dependence of Fixed-Node Errors in Diffusion Quantum {{Monte Carlo}}},
+	title = {Density Dependence of Fixed-Node Errors in Diffusion Quantum {{Monte Carlo}}: {{Triplet}} Pair Correlations},
+	volume = {591},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1016/j.cplett.2013.11.033}}
 
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-	Url = {http://www.sciencedirect.com/science/article/pii/S0301010400001774},
-	Volume = {258},
-	Year = {2000},
+	author = {S. Lacombe and M. Loudet and A. Dargelos and J.M. Camou},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {https://doi.org/10.1016/S0301-0104(00)00177-4},
+	issn = {0301-0104},
+	journal = {Chem. Phys.},
+	number = {1},
+	pages = {1--12},
+	title = {Calculation of the Electronic and Photoelectronic Spectra of Nitroso Compounds: A Reinvestigation by Use of Configuration Interaction Methods},
+	url = {http://www.sciencedirect.com/science/article/pii/S0301010400001774},
+	volume = {258},
+	year = {2000},
 	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0301010400001774},
 	Bdsk-Url-2 = {https://doi.org/10.1016/S0301-0104(00)00177-4}}
 
 @article{Lange_2012,
-	Author = {K. K. Lange and E. I. Tellgren and M. R. Hoffmann and T. Helgaker},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Science},
-	Pages = {327},
-	Volume = {337},
-	Year = {2012}}
+	author = {K. K. Lange and E. I. Tellgren and M. R. Hoffmann and T. Helgaker},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Science},
+	pages = {327},
+	volume = {337},
+	year = {2012}}
 
 @article{Lange_2018,
-	Author = {Lange, Malte F. and Berkelbach, Timothy C.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/acs.jctc.8b00455},
-	File = {/Users/loos/Zotero/storage/AKMRCRNU/Lange and Berkelbach - 2018 - On the Relation between Equation-of-Motion Coupled.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory. Comput.},
-	Language = {en},
-	Month = aug,
-	Number = {8},
-	Pages = {4224-4236},
-	Title = {On the {{Relation}} between {{Equation}}-of-{{Motion Coupled}}-{{Cluster Theory}} and the {{{\emph{GW}}}} {{Approximation}}},
-	Volume = {14},
-	Year = {2018},
+	author = {Lange, Malte F. and Berkelbach, Timothy C.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/acs.jctc.8b00455},
+	file = {/Users/loos/Zotero/storage/AKMRCRNU/Lange and Berkelbach - 2018 - On the Relation between Equation-of-Motion Coupled.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory. Comput.},
+	language = {en},
+	month = aug,
+	number = {8},
+	pages = {4224-4236},
+	title = {On the {{Relation}} between {{Equation}}-of-{{Motion Coupled}}-{{Cluster Theory}} and the {{{\emph{GW}}}} {{Approximation}}},
+	volume = {14},
+	year = {2018},
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 @article{Lani_2016,
-	Author = {Lani, Giovanna and Di Marino, Simone and Gerolin, Augusto and {van Leeuwen}, Robert and {Gori-Giorgi}, Paola},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
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-	File = {/Users/loos/Zotero/storage/J8LH8GAY/Lani et al. - 2016 - The adiabatic strictly-correlated-electrons functi.pdf},
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-	Journal = {Phys. Chem. Chem. Phys.},
-	Language = {en},
-	Number = {31},
-	Pages = {21092-21101},
-	Shorttitle = {The Adiabatic Strictly-Correlated-Electrons Functional},
-	Title = {The Adiabatic Strictly-Correlated-Electrons Functional: Kernel and Exact Properties},
-	Volume = {18},
-	Year = {2016},
+	author = {Lani, Giovanna and Di Marino, Simone and Gerolin, Augusto and {van Leeuwen}, Robert and {Gori-Giorgi}, Paola},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1039/C6CP00339G},
+	file = {/Users/loos/Zotero/storage/J8LH8GAY/Lani et al. - 2016 - The adiabatic strictly-correlated-electrons functi.pdf},
+	issn = {1463-9076, 1463-9084},
+	journal = {Phys. Chem. Chem. Phys.},
+	language = {en},
+	number = {31},
+	pages = {21092-21101},
+	shorttitle = {The Adiabatic Strictly-Correlated-Electrons Functional},
+	title = {The Adiabatic Strictly-Correlated-Electrons Functional: Kernel and Exact Properties},
+	volume = {18},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1039/C6CP00339G}}
 
 @article{Lappe_2000,
-	Author = {Lappe, Jason and Cave, Robert J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
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-	Issn = {1089-5639, 1520-5215},
-	Journal = {J. Phys. Chem. A},
-	Language = {en},
-	Month = mar,
-	Number = {11},
-	Pages = {2294-2300},
-	Title = {On the {{Vertical}} and {{Adiabatic Excitation Energies}} of the 2 {\textsuperscript{1}} {{A}} {\textsubscript{g}} {{State}} of {\emph{Trans}} -1,3-{{Butadiene}}},
-	Volume = {104},
-	Year = {2000},
+	author = {Lappe, Jason and Cave, Robert J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/jp992518z},
+	issn = {1089-5639, 1520-5215},
+	journal = {J. Phys. Chem. A},
+	language = {en},
+	month = mar,
+	number = {11},
+	pages = {2294-2300},
+	title = {On the {{Vertical}} and {{Adiabatic Excitation Energies}} of the 2 {\textsuperscript{1}} {{A}} {\textsubscript{g}} {{State}} of {\emph{Trans}} -1,3-{{Butadiene}}},
+	volume = {104},
+	year = {2000},
 	Bdsk-Url-1 = {https://doi.org/10.1021/jp992518z}}
 
 @article{Lee_2011a,
-	Author = {Lee, R. M. and Drummond, N. D.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Issue = {24},
-	Journal = {Phys. Rev. B},
-	Numpages = {12},
-	Pages = {245114},
-	Publisher = {American Physical Society},
-	Title = {Ground-state properties of the one-dimensional electron liquid},
-	Volume = {83},
-	Year = {2011}}
+	author = {Lee, R. M. and Drummond, N. D.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	issue = {24},
+	journal = {Phys. Rev. B},
+	numpages = {12},
+	pages = {245114},
+	publisher = {American Physical Society},
+	title = {Ground-state properties of the one-dimensional electron liquid},
+	volume = {83},
+	year = {2011}}
 
 @article{Lee_2011b,
-	Author = {Lee, R. M. and Conduit, G. J. and Nemec, N. and L{\'o}pez R{\'\i}os, P. and Drummond, N. D.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/physreve.83.066706},
-	Issn = {1550-2376},
-	Journal = {Phys. Rev. E},
-	Month = {Jun},
-	Number = {6},
-	Pages = {066706},
-	Publisher = {American Physical Society (APS)},
-	Title = {Strategies for improving the efficiency of quantum Monte Carlo calculations},
-	Url = {http://dx.doi.org/10.1103/PhysRevE.83.066706},
-	Volume = {83},
-	Year = {2011},
+	author = {Lee, R. M. and Conduit, G. J. and Nemec, N. and L{\'o}pez R{\'\i}os, P. and Drummond, N. D.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/physreve.83.066706},
+	issn = {1550-2376},
+	journal = {Phys. Rev. E},
+	month = {Jun},
+	number = {6},
+	pages = {066706},
+	publisher = {American Physical Society (APS)},
+	title = {Strategies for improving the efficiency of quantum Monte Carlo calculations},
+	url = {http://dx.doi.org/10.1103/PhysRevE.83.066706},
+	volume = {83},
+	year = {2011},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevE.83.066706},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1103/physreve.83.066706}}
 
 @article{LeGuennic_2015,
-	Author = {Le Guennic, Boris and Jacquemin, Denis},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/ar500447q},
-	Journal = {Acc. Chem. Res.},
-	Pages = {530--537},
-	Title = {Taking Up the Cyanine Challenge with Quantum Tools},
-	Url = {http://dx.doi.org/10.1021/ar500447q},
-	Volume = {48},
-	Year = {2015},
+	author = {Le Guennic, Boris and Jacquemin, Denis},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/ar500447q},
+	journal = {Acc. Chem. Res.},
+	pages = {530--537},
+	title = {Taking Up the Cyanine Challenge with Quantum Tools},
+	url = {http://dx.doi.org/10.1021/ar500447q},
+	volume = {48},
+	year = {2015},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1021/ar500447q}}
 
 @article{Lester_2009,
-	Author = {W. A. Lester and L. Mitas and B. Hammond},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Chem. Phys. Lett.},
-	Keywords = {QMC; dft},
-	Pages = {1--10},
-	Title = {Quantum Monte Carlo for atoms, molecules and solids},
-	Volume = {478},
-	Year = {2009}}
+	author = {W. A. Lester and L. Mitas and B. Hammond},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Chem. Phys. Lett.},
+	keywords = {QMC; dft},
+	pages = {1--10},
+	title = {Quantum Monte Carlo for atoms, molecules and solids},
+	volume = {478},
+	year = {2009}}
 
 @article{Levine_2006a,
-	Author = {Levine, Benjamin G. and Ko, Chaehyuk and Quenneville, Jason and Mart\'Inez, Todd J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1080/00268970500417762},
-	Journal = {Mol. Phys.},
-	Month = mar,
-	Pages = {1039-1051},
-	Title = {Conical Intersections and Double Excitations in Time-Dependent Density Functional Theory},
-	Volume = {104},
-	Year = {2006},
+	author = {Levine, Benjamin G. and Ko, Chaehyuk and Quenneville, Jason and Mart\'Inez, Todd J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1080/00268970500417762},
+	journal = {Mol. Phys.},
+	month = mar,
+	pages = {1039-1051},
+	title = {Conical Intersections and Double Excitations in Time-Dependent Density Functional Theory},
+	volume = {104},
+	year = {2006},
 	Bdsk-Url-1 = {https://doi.org/10.1080/00268970500417762}}
 
 @article{Levy_1995,
-	Author = {Levy, Mel},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.52.R4313},
-	File = {/Users/loos/Zotero/storage/W7CIW7AW/Levy - 1995 - Excitation energies from density-functional orbita.pdf},
-	Issn = {1050-2947, 1094-1622},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = dec,
-	Number = {6},
-	Pages = {R4313-R4315},
-	Title = {Excitation Energies from Density-Functional Orbital Energies},
-	Volume = {52},
-	Year = {1995},
+	author = {Levy, Mel},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.52.R4313},
+	file = {/Users/loos/Zotero/storage/W7CIW7AW/Levy - 1995 - Excitation energies from density-functional orbita.pdf},
+	issn = {1050-2947, 1094-1622},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = dec,
+	number = {6},
+	pages = {R4313-R4315},
+	title = {Excitation Energies from Density-Functional Orbital Energies},
+	volume = {52},
+	year = {1995},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.52.R4313}}
 
 @article{Levy_1999,
-	Author = {Levy, Mel and Nagy, \'Agnes},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.83.4361},
-	File = {/Users/loos/Zotero/storage/TAQZN9B5/Levy and Nagy - 1999 - Variational Density-Functional Theory for an Indiv.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = nov,
-	Number = {21},
-	Pages = {4361-4364},
-	Title = {Variational {{Density}}-{{Functional Theory}} for an {{Individual Excited State}}},
-	Volume = {83},
-	Year = {1999},
+	author = {Levy, Mel and Nagy, \'Agnes},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.83.4361},
+	file = {/Users/loos/Zotero/storage/TAQZN9B5/Levy and Nagy - 1999 - Variational Density-Functional Theory for an Indiv.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = nov,
+	number = {21},
+	pages = {4361-4364},
+	title = {Variational {{Density}}-{{Functional Theory}} for an {{Individual Excited State}}},
+	volume = {83},
+	year = {1999},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.83.4361}}
 
 @article{Levy_2014,
-	Author = {Levy, Mel and Zahariev, Federico},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.113.113002},
-	File = {/Users/loos/Zotero/storage/4C87D4GM/Levy and Zahariev - 2014 - Ground-State Energy as a Simple Sum of Orbital Ene.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = sep,
-	Number = {11},
-	Shorttitle = {Ground-{{State Energy}} as a {{Simple Sum}} of {{Orbital Energies}} in {{Kohn}}-{{Sham Theory}}},
-	Title = {Ground-{{State Energy}} as a {{Simple Sum}} of {{Orbital Energies}} in {{Kohn}}-{{Sham Theory}}: {{A Shift}} in {{Perspective}} through a {{Shift}} in {{Potential}}},
-	Volume = {113},
-	Year = {2014},
+	author = {Levy, Mel and Zahariev, Federico},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.113.113002},
+	file = {/Users/loos/Zotero/storage/4C87D4GM/Levy and Zahariev - 2014 - Ground-State Energy as a Simple Sum of Orbital Ene.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = sep,
+	number = {11},
+	shorttitle = {Ground-{{State Energy}} as a {{Simple Sum}} of {{Orbital Energies}} in {{Kohn}}-{{Sham Theory}}},
+	title = {Ground-{{State Energy}} as a {{Simple Sum}} of {{Orbital Energies}} in {{Kohn}}-{{Sham Theory}}: {{A Shift}} in {{Perspective}} through a {{Shift}} in {{Potential}}},
+	volume = {113},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.113.113002}}
 
 @article{Li_2006b,
-	Author = {Xiangzhu Li and Josef Paldus},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1080/00268970500416145},
-	Journal = {Mol. Phys.},
-	Number = {5--7},
-	Pages = {661--676},
-	Publisher = {Taylor & Francis},
-	Title = {General-Model-Space State-Universal Coupled-Cluster Method: Excitation Energies of Water},
-	Url = {https://doi.org/10.1080/00268970500416145},
-	Volume = {104},
-	Year = {2006},
+	author = {Xiangzhu Li and Josef Paldus},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1080/00268970500416145},
+	journal = {Mol. Phys.},
+	number = {5--7},
+	pages = {661--676},
+	publisher = {Taylor & Francis},
+	title = {General-Model-Space State-Universal Coupled-Cluster Method: Excitation Energies of Water},
+	url = {https://doi.org/10.1080/00268970500416145},
+	volume = {104},
+	year = {2006},
 	Bdsk-Url-1 = {https://doi.org/10.1080/00268970500416145}}
 
 @article{Li_2011,
-	Author = {Xiangzhu Li and Josef Paldus},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.3595513},
-	Journal = {J. Chem. Phys.},
-	Number = {21},
-	Pages = {214118},
-	Title = {Multi-Reference State-Universal Coupled-Cluster Approaches to Electronically Excited States},
-	Url = {https://doi.org/10.1063/1.3595513},
-	Volume = {134},
-	Year = {2011},
+	author = {Xiangzhu Li and Josef Paldus},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.3595513},
+	journal = {J. Chem. Phys.},
+	number = {21},
+	pages = {214118},
+	title = {Multi-Reference State-Universal Coupled-Cluster Approaches to Electronically Excited States},
+	url = {https://doi.org/10.1063/1.3595513},
+	volume = {134},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3595513}}
 
 @article{Li_2013,
-	Author = {Li, Yan-Ni and Wang, Shengguang and Wang, Tao and Gao, Rui and Geng, Chun-Yu and Li, Yong-Wang and Wang, Jianguo and Jiao, Haijun},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/cphc.201201043},
-	Issn = {1439-4235},
-	Journal = {ChemPhysChem},
-	Month = {Mar},
-	Number = {6},
-	Pages = {1182--1189},
-	Publisher = {Wiley-Blackwell},
-	Title = {Energies and Spin States of FeS0/−, FeS20/−, Fe2S20/−, Fe3S40/−, and Fe4S40/−Clusters},
-	Url = {http://dx.doi.org/10.1002/cphc.201201043},
-	Volume = {14},
-	Year = {2013},
+	author = {Li, Yan-Ni and Wang, Shengguang and Wang, Tao and Gao, Rui and Geng, Chun-Yu and Li, Yong-Wang and Wang, Jianguo and Jiao, Haijun},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/cphc.201201043},
+	issn = {1439-4235},
+	journal = {ChemPhysChem},
+	month = {Mar},
+	number = {6},
+	pages = {1182--1189},
+	publisher = {Wiley-Blackwell},
+	title = {Energies and Spin States of FeS0/−, FeS20/−, Fe2S20/−, Fe3S40/−, and Fe4S40/−Clusters},
+	url = {http://dx.doi.org/10.1002/cphc.201201043},
+	volume = {14},
+	year = {2013},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1002/cphc.201201043}}
 
 @article{Liang_2009,
-	Author = {Liang, Binyong and Wang, Xuefeng and Andrews, Lester},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/jp900994c},
-	Issn = {1520-5215},
-	Journal = {J. Phys. Chem. A},
-	Month = {May},
-	Number = {18},
-	Pages = {5375--5384},
-	Publisher = {American Chemical Society (ACS)},
-	Title = {Infrared Spectra and Density Functional Theory Calculations of Group 8 Transition Metal Sulfide Molecules},
-	Url = {http://dx.doi.org/10.1021/jp900994c},
-	Volume = {113},
-	Year = {2009},
+	author = {Liang, Binyong and Wang, Xuefeng and Andrews, Lester},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/jp900994c},
+	issn = {1520-5215},
+	journal = {J. Phys. Chem. A},
+	month = {May},
+	number = {18},
+	pages = {5375--5384},
+	publisher = {American Chemical Society (ACS)},
+	title = {Infrared Spectra and Density Functional Theory Calculations of Group 8 Transition Metal Sulfide Molecules},
+	url = {http://dx.doi.org/10.1021/jp900994c},
+	volume = {113},
+	year = {2009},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1021/jp900994c}}
 
 @article{Livak_1971,
-	Author = {Livak, D.T. and Innes, K.K.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/0022-2852(71)90282-7},
-	Issn = {00222852},
-	Journal = {J. Mol. Spectrosc.},
-	Language = {en},
-	Month = jul,
-	Number = {1},
-	Pages = {115-122},
-	Title = {A Triplet-Singlet Transition of s-Tetrazine},
-	Volume = {39},
-	Year = {1971},
+	author = {Livak, D.T. and Innes, K.K.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/0022-2852(71)90282-7},
+	issn = {00222852},
+	journal = {J. Mol. Spectrosc.},
+	language = {en},
+	month = jul,
+	number = {1},
+	pages = {115-122},
+	title = {A Triplet-Singlet Transition of s-Tetrazine},
+	volume = {39},
+	year = {1971},
 	Bdsk-Url-1 = {https://doi.org/10.1016/0022-2852(71)90282-7}}
 
 @article{Loh_1990,
-	Author = {E. Y. Loh and J. E. Gubernatis and R. T. Scalettar and S. R. White and D. J. Scalapino and R. L. Sugar},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Phys. Rev. B},
-	Pages = {9301},
-	Volume = {41},
-	Year = {1990}}
+	author = {E. Y. Loh and J. E. Gubernatis and R. T. Scalettar and S. R. White and D. J. Scalapino and R. L. Sugar},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Phys. Rev. B},
+	pages = {9301},
+	volume = {41},
+	year = {1990}}
 
 @article{Loos_2007,
-	Author = {Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/qua.21410},
-	File = {/Users/loos/Zotero/storage/64MPU2ZJ/8.pdf},
-	Issn = {00207608, 1097461X},
-	Journal = {Int. J. Quantum Chem.},
-	Language = {en},
-	Number = {12},
-	Pages = {2243-2252},
-	Title = {Core-Ionized and Core-Excited States of Macromolecules},
-	Volume = {107},
-	Year = {2007},
+	author = {Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/qua.21410},
+	file = {/Users/loos/Zotero/storage/64MPU2ZJ/8.pdf},
+	issn = {00207608, 1097461X},
+	journal = {Int. J. Quantum Chem.},
+	language = {en},
+	number = {12},
+	pages = {2243-2252},
+	title = {Core-Ionized and Core-Excited States of Macromolecules},
+	volume = {107},
+	year = {2007},
 	Bdsk-Url-1 = {https://doi.org/10.1002/qua.21410}}
 
 @article{Loos_2007a,
-	Author = {Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier and Rivail, Jean-Louis},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1007/s00214-007-0258-x},
-	File = {/Users/loos/Zotero/storage/S6FBKP2M/5.pdf},
-	Issn = {1432-881X, 1432-2234},
-	Journal = {Theor. Chem. Acc.},
-	Language = {en},
-	Month = jun,
-	Number = {1},
-	Pages = {165-171},
-	Title = {Intramolecular Interactions and Cis Peptidic Bonds},
-	Volume = {118},
-	Year = {2007},
+	author = {Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier and Rivail, Jean-Louis},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1007/s00214-007-0258-x},
+	file = {/Users/loos/Zotero/storage/S6FBKP2M/5.pdf},
+	issn = {1432-881X, 1432-2234},
+	journal = {Theor. Chem. Acc.},
+	language = {en},
+	month = jun,
+	number = {1},
+	pages = {165-171},
+	title = {Intramolecular Interactions and Cis Peptidic Bonds},
+	volume = {118},
+	year = {2007},
 	Bdsk-Url-1 = {https://doi.org/10.1007/s00214-007-0258-x}}
 
 @inproceedings{Loos_2007b,
-	Author = {Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier},
-	Booktitle = {{{AIP Conference Proceedings}}},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	File = {/Users/loos/Zotero/storage/HGKGXAMT/10.pdf},
-	Pages = {308--315},
-	Publisher = {{AIP}},
-	Title = {On {{The Frontier Bond Location In The QM}}/{{MM Description Of Peptides And Proteins}}.},
-	Volume = {963},
-	Year = {2007}}
+	author = {Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier},
+	booktitle = {{{AIP Conference Proceedings}}},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	file = {/Users/loos/Zotero/storage/HGKGXAMT/10.pdf},
+	pages = {308--315},
+	publisher = {{AIP}},
+	title = {On {{The Frontier Bond Location In The QM}}/{{MM Description Of Peptides And Proteins}}.},
+	volume = {963},
+	year = {2007}}
 
 @article{Loos_2007c,
-	Author = {Loos, P.-F. and Fornili, A. and Sironi, M. and Assfeld, X.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	File = {/Users/loos/Zotero/storage/CAHLR8H8/9.pdf},
-	Journal = {Comput. Lett.},
-	Number = {2-4},
-	Pages = {2--4},
-	Shorttitle = {Removing Extra Frontier Parameters in {{QM}}/{{MM}} Methods},
-	Title = {Removing Extra Frontier Parameters in {{QM}}/{{MM}} Methods: A Tentative with the {{Local Self}}-{{Consistent Field}} Approach},
-	Volume = {3},
-	Year = {2007}}
+	author = {Loos, P.-F. and Fornili, A. and Sironi, M. and Assfeld, X.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	file = {/Users/loos/Zotero/storage/CAHLR8H8/9.pdf},
+	journal = {Comput. Lett.},
+	number = {2-4},
+	pages = {2--4},
+	shorttitle = {Removing Extra Frontier Parameters in {{QM}}/{{MM}} Methods},
+	title = {Removing Extra Frontier Parameters in {{QM}}/{{MM}} Methods: A Tentative with the {{Local Self}}-{{Consistent Field}} Approach},
+	volume = {3},
+	year = {2007}}
 
 @article{Loos_2007d,
-	Author = {Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/ct6003214},
-	File = {/Users/loos/Zotero/storage/A9TSDVGQ/6.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = may,
-	Number = {3},
-	Pages = {1047-1053},
-	Title = {Self-{{Consistent Strictly Localized Orbitals}}},
-	Volume = {3},
-	Year = {2007},
+	author = {Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/ct6003214},
+	file = {/Users/loos/Zotero/storage/A9TSDVGQ/6.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = may,
+	number = {3},
+	pages = {1047-1053},
+	title = {Self-{{Consistent Strictly Localized Orbitals}}},
+	volume = {3},
+	year = {2007},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct6003214}}
 
 @article{Loos_2008,
-	Author = {Loos, Pierre-Fran{\c c}ois and Preat, Julien and Laurent, Ad\`ele D. and Michaux, Catherine and Jacquemin, Denis and Perp\`ete, Eric A. and Assfeld, Xavier},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/ct700188w},
-	File = {/Users/loos/Zotero/storage/LSU72HGK/11.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = apr,
-	Number = {4},
-	Pages = {637-645},
-	Shorttitle = {Theoretical {{Investigation}} of the {{Geometries}} and {{UV}}-vis {{Spectra}} of {{Poly}}(},
-	Title = {Theoretical {{Investigation}} of the {{Geometries}} and {{UV}}-vis {{Spectra}} of {{Poly}}( {\textsc{l}} -Glutamic Acid) {{Featuring}} a {{Photochromic Azobenzene Side Chain}}},
-	Volume = {4},
-	Year = {2008},
+	author = {Loos, Pierre-Fran{\c c}ois and Preat, Julien and Laurent, Ad\`ele D. and Michaux, Catherine and Jacquemin, Denis and Perp\`ete, Eric A. and Assfeld, Xavier},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/ct700188w},
+	file = {/Users/loos/Zotero/storage/LSU72HGK/11.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = apr,
+	number = {4},
+	pages = {637-645},
+	shorttitle = {Theoretical {{Investigation}} of the {{Geometries}} and {{UV}}-vis {{Spectra}} of {{Poly}}(},
+	title = {Theoretical {{Investigation}} of the {{Geometries}} and {{UV}}-vis {{Spectra}} of {{Poly}}( {\textsc{l}} -Glutamic Acid) {{Featuring}} a {{Photochromic Azobenzene Side Chain}}},
+	volume = {4},
+	year = {2008},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct700188w}}
 
 @article{Loos_2009,
-	Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.3275519},
-	File = {/Users/loos/Zotero/storage/E9MV4JCJ/19.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = dec,
-	Number = {24},
-	Pages = {241101},
-	Title = {Correlation Energy of Two Electrons in the High-Density Limit},
-	Volume = {131},
-	Year = {2009},
+	author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.3275519},
+	file = {/Users/loos/Zotero/storage/E9MV4JCJ/19.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = dec,
+	number = {24},
+	pages = {241101},
+	title = {Correlation Energy of Two Electrons in the High-Density Limit},
+	volume = {131},
+	year = {2009},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3275519}}
 
 @article{Loos_2009a,
-	Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.79.062517},
-	File = {/Users/loos/Zotero/storage/R9N5FN2F/17.pdf},
-	Issn = {1050-2947, 1094-1622},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = jun,
-	Number = {6},
-	Pages = {062517},
-	Title = {Ground State of Two Electrons on a Sphere},
-	Volume = {79},
-	Year = {2009},
+	author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.79.062517},
+	file = {/Users/loos/Zotero/storage/R9N5FN2F/17.pdf},
+	issn = {1050-2947, 1094-1622},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = jun,
+	number = {6},
+	pages = {062517},
+	title = {Ground State of Two Electrons on a Sphere},
+	volume = {79},
+	year = {2009},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.79.062517}}
 
 @article{Loos_2009b,
-	Author = {Loos, Pierre-Fran{\c c}ois and Dumont, Elise and Laurent, Ad\`ele D. and Assfeld, Xavier},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/j.cplett.2009.05.041},
-	File = {/Users/loos/Zotero/storage/QDEXZPUE/16.pdf},
-	Issn = {00092614},
-	Journal = {Chem. Phys. Lett.},
-	Language = {en},
-	Month = jun,
-	Number = {1-3},
-	Pages = {120-123},
-	Title = {Important Effects of Neighbouring Nucleotides on Electron Induced {{DNA}} Single-Strand Breaks},
-	Volume = {475},
-	Year = {2009},
+	author = {Loos, Pierre-Fran{\c c}ois and Dumont, Elise and Laurent, Ad\`ele D. and Assfeld, Xavier},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/j.cplett.2009.05.041},
+	file = {/Users/loos/Zotero/storage/QDEXZPUE/16.pdf},
+	issn = {00092614},
+	journal = {Chem. Phys. Lett.},
+	language = {en},
+	month = jun,
+	number = {1-3},
+	pages = {120-123},
+	title = {Important Effects of Neighbouring Nucleotides on Electron Induced {{DNA}} Single-Strand Breaks},
+	volume = {475},
+	year = {2009},
 	Bdsk-Url-1 = {https://doi.org/10.1016/j.cplett.2009.05.041}}
 
 @article{Loos_2009c,
-	Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.103.123008},
-	File = {/Users/loos/Zotero/storage/GRFHDW5F/18.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = sep,
-	Number = {12},
-	Pages = {123008},
-	Shorttitle = {Two {{Electrons}} on a {{Hypersphere}}},
-	Title = {Two {{Electrons}} on a {{Hypersphere}}: {{A Quasiexactly Solvable Model}}},
-	Volume = {103},
-	Year = {2009},
+	author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.103.123008},
+	file = {/Users/loos/Zotero/storage/GRFHDW5F/18.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = sep,
+	number = {12},
+	pages = {123008},
+	shorttitle = {Two {{Electrons}} on a {{Hypersphere}}},
+	title = {Two {{Electrons}} on a {{Hypersphere}}: {{A Quasiexactly Solvable Model}}},
+	volume = {103},
+	year = {2009},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.103.123008}}
 
 @article{Loos_2010,
-	Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/j.cplett.2010.09.019},
-	File = {/Users/loos/Zotero/storage/DJKJNV2H/27.pdf},
-	Issn = {00092614},
-	Journal = {Chem. Phys. Lett.},
-	Language = {en},
-	Month = nov,
-	Number = {1-3},
-	Pages = {1-8},
-	Shorttitle = {A Tale of Two Electrons},
-	Title = {A Tale of Two Electrons: {{Correlation}} at High Density},
-	Volume = {500},
-	Year = {2010},
+	author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/j.cplett.2010.09.019},
+	file = {/Users/loos/Zotero/storage/DJKJNV2H/27.pdf},
+	issn = {00092614},
+	journal = {Chem. Phys. Lett.},
+	language = {en},
+	month = nov,
+	number = {1-3},
+	pages = {1-8},
+	shorttitle = {A Tale of Two Electrons},
+	title = {A Tale of Two Electrons: {{Correlation}} at High Density},
+	volume = {500},
+	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1016/j.cplett.2010.09.019}}
 
 @article{Loos_2010a,
-	Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.3455706},
-	File = {/Users/loos/Zotero/storage/QWSE9HHH/24.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = jun,
-	Number = {23},
-	Pages = {234111},
-	Title = {Correlation Energy of Two Electrons in a Ball},
-	Volume = {132},
-	Year = {2010},
+	author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.3455706},
+	file = {/Users/loos/Zotero/storage/QWSE9HHH/24.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = jun,
+	number = {23},
+	pages = {234111},
+	title = {Correlation Energy of Two Electrons in a Ball},
+	volume = {132},
+	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3455706}}
 
 @article{Loos_2010b,
-	Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.81.052510},
-	File = {/Users/loos/Zotero/storage/3MZKVWT9/23.pdf},
-	Issn = {1050-2947, 1094-1622},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = may,
-	Number = {5},
-	Pages = {052510},
-	Title = {Ground State of Two Electrons on Concentric Spheres},
-	Volume = {81},
-	Year = {2010},
+	author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.81.052510},
+	file = {/Users/loos/Zotero/storage/3MZKVWT9/23.pdf},
+	issn = {1050-2947, 1094-1622},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = may,
+	number = {5},
+	pages = {052510},
+	title = {Ground State of Two Electrons on Concentric Spheres},
+	volume = {81},
+	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.81.052510}}
 
 @article{Loos_2010c,
-	Author = {Loos, Pierre-Fran{\c c}ois},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.81.032510},
-	File = {/Users/loos/Zotero/storage/KJEJ5D77/21.pdf},
-	Issn = {1050-2947, 1094-1622},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = mar,
-	Number = {3},
-	Pages = {032510},
-	Title = {Hooke's Law Correlation in Two-Electron Systems},
-	Volume = {81},
-	Year = {2010},
+	author = {Loos, Pierre-Fran{\c c}ois},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.81.032510},
+	file = {/Users/loos/Zotero/storage/KJEJ5D77/21.pdf},
+	issn = {1050-2947, 1094-1622},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = mar,
+	number = {3},
+	pages = {032510},
+	title = {Hooke's Law Correlation in Two-Electron Systems},
+	volume = {81},
+	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.81.032510}}
 
 @article{Loos_2010d,
-	Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.105.113001},
-	File = {/Users/loos/Zotero/storage/I2UH4CU5/26.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = sep,
-	Number = {11},
-	Pages = {113001},
-	Title = {Invariance of the {{Correlation Energy}} at {{High Density}} and {{Large Dimension}} in {{Two}}-{{Electron Systems}}},
-	Volume = {105},
-	Year = {2010},
+	author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.105.113001},
+	file = {/Users/loos/Zotero/storage/I2UH4CU5/26.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = sep,
+	number = {11},
+	pages = {113001},
+	title = {Invariance of the {{Correlation Energy}} at {{High Density}} and {{Large Dimension}} in {{Two}}-{{Electron Systems}}},
+	volume = {105},
+	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.105.113001}}
 
 @article{Loos_2010e,
-	Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M.W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1080/00268976.2010.508472},
-	File = {/Users/loos/Zotero/storage/TLWJZ3HQ/25.pdf},
-	Issn = {0026-8976, 1362-3028},
-	Journal = {Mol. Phys.},
-	Language = {en},
-	Month = oct,
-	Number = {19-20},
-	Pages = {2527-2532},
-	Title = {Excited States of Spherium},
-	Volume = {108},
-	Year = {2010},
+	author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M.W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1080/00268976.2010.508472},
+	file = {/Users/loos/Zotero/storage/TLWJZ3HQ/25.pdf},
+	issn = {0026-8976, 1362-3028},
+	journal = {Mol. Phys.},
+	language = {en},
+	month = oct,
+	number = {19-20},
+	pages = {2527-2532},
+	title = {Excited States of Spherium},
+	volume = {108},
+	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1080/00268976.2010.508472}}
 
 @article{Loos_2011,
-	Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevB.84.033103},
-	File = {/Users/loos/Zotero/storage/NK4SJ24B/29.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = jul,
-	Number = {3},
-	Pages = {033103},
-	Title = {Correlation Energy of the Spin-Polarized Uniform Electron Gas at High Density},
-	Volume = {84},
-	Year = {2011},
+	author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevB.84.033103},
+	file = {/Users/loos/Zotero/storage/NK4SJ24B/29.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = jul,
+	number = {3},
+	pages = {033103},
+	title = {Correlation Energy of the Spin-Polarized Uniform Electron Gas at High Density},
+	volume = {84},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.84.033103}}
 
 @article{Loos_2011a,
-	Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevB.83.233102},
-	File = {/Users/loos/Zotero/storage/2QNIQXM5/28.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = jun,
-	Number = {23},
-	Pages = {233102},
-	Title = {Exact Energy of the Spin-Polarized Two-Dimensional Electron Gas at High Density},
-	Volume = {83},
-	Year = {2011},
+	author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevB.83.233102},
+	file = {/Users/loos/Zotero/storage/2QNIQXM5/28.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = jun,
+	number = {23},
+	pages = {233102},
+	title = {Exact Energy of the Spin-Polarized Two-Dimensional Electron Gas at High Density},
+	volume = {83},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.83.233102}}
 
 @article{Loos_2011b,
-	Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.3665393},
-	File = {/Users/loos/Zotero/storage/R8SHV7JI/31.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = dec,
-	Number = {21},
-	Pages = {214111},
-	Shorttitle = {Thinking Outside the Box},
-	Title = {Thinking Outside the Box: {{The}} Uniform Electron Gas on a Hypersphere},
-	Volume = {135},
-	Year = {2011},
+	author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.3665393},
+	file = {/Users/loos/Zotero/storage/R8SHV7JI/31.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = dec,
+	number = {21},
+	pages = {214111},
+	shorttitle = {Thinking Outside the Box},
+	title = {Thinking Outside the Box: {{The}} Uniform Electron Gas on a Hypersphere},
+	volume = {135},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3665393}}
 
 @article{Loos_2012,
-	Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.108.083002},
-	File = {/Users/loos/Zotero/storage/D5YVLEB5/34.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = feb,
-	Number = {8},
-	Pages = {083002},
-	Title = {Exact {{Wave Functions}} of {{Two}}-{{Electron Quantum Rings}}},
-	Volume = {108},
-	Year = {2012},
+	author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.108.083002},
+	file = {/Users/loos/Zotero/storage/D5YVLEB5/34.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = feb,
+	number = {8},
+	pages = {083002},
+	title = {Exact {{Wave Functions}} of {{Two}}-{{Electron Quantum Rings}}},
+	volume = {108},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.108.083002}}
 
 @article{Loos_2012a,
-	Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M.W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1080/00268976.2012.679634},
-	File = {/Users/loos/Zotero/storage/H82N8B89/35.pdf},
-	Issn = {0026-8976, 1362-3028},
-	Journal = {Mol. Phys.},
-	Language = {en},
-	Month = oct,
-	Number = {19-20},
-	Pages = {2337-2342},
-	Title = {Harmonically Trapped Jellium},
-	Volume = {110},
-	Year = {2012},
+	author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M.W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1080/00268976.2012.679634},
+	file = {/Users/loos/Zotero/storage/H82N8B89/35.pdf},
+	issn = {0026-8976, 1362-3028},
+	journal = {Mol. Phys.},
+	language = {en},
+	month = oct,
+	number = {19-20},
+	pages = {2337-2342},
+	title = {Harmonically Trapped Jellium},
+	volume = {110},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1080/00268976.2012.679634}}
 
 @article{Loos_2012b,
-	Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/qua.23155},
-	File = {/Users/loos/Zotero/storage/PMVR53GF/33.pdf},
-	Issn = {00207608},
-	Journal = {Int. J. Quantum Chem.},
-	Language = {en},
-	Month = mar,
-	Number = {6},
-	Pages = {1712-1716},
-	Title = {Leading-Order Behavior of the Correlation Energy in the Uniform Electron Gas},
-	Volume = {112},
-	Year = {2012},
+	author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/qua.23155},
+	file = {/Users/loos/Zotero/storage/PMVR53GF/33.pdf},
+	issn = {00207608},
+	journal = {Int. J. Quantum Chem.},
+	language = {en},
+	month = mar,
+	number = {6},
+	pages = {1712-1716},
+	title = {Leading-Order Behavior of the Correlation Energy in the Uniform Electron Gas},
+	volume = {112},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1002/qua.23155}}
 
 @article{Loos_2012c,
-	Author = {Loos, Pierre-Fran{\c c}ois},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/j.physleta.2012.05.010},
-	File = {/Users/loos/Zotero/storage/JUPS4RAD/36.pdf},
-	Issn = {03759601},
-	Journal = {Phys. Lett. A},
-	Language = {en},
-	Month = may,
-	Number = {26-27},
-	Pages = {1997-2000},
-	Title = {Understanding Excitons Using Spherical Geometry},
-	Volume = {376},
-	Year = {2012},
+	author = {Loos, Pierre-Fran{\c c}ois},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/j.physleta.2012.05.010},
+	file = {/Users/loos/Zotero/storage/JUPS4RAD/36.pdf},
+	issn = {03759601},
+	journal = {Phys. Lett. A},
+	language = {en},
+	month = may,
+	number = {26-27},
+	pages = {1997-2000},
+	title = {Understanding Excitons Using Spherical Geometry},
+	volume = {376},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1016/j.physleta.2012.05.010}}
 
 @article{Loos_2013,
-	Author = {Loos, Pierre-Fran{\c c}ois},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4790613},
-	File = {/Users/loos/Zotero/storage/47LGX76U/37.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = feb,
-	Number = {6},
-	Pages = {064108},
-	Title = {High-Density Correlation Energy Expansion of the One-Dimensional Uniform Electron Gas},
-	Volume = {138},
-	Year = {2013},
+	author = {Loos, Pierre-Fran{\c c}ois},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4790613},
+	file = {/Users/loos/Zotero/storage/47LGX76U/37.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = feb,
+	number = {6},
+	pages = {064108},
+	title = {High-Density Correlation Energy Expansion of the One-Dimensional Uniform Electron Gas},
+	volume = {138},
+	year = {2013},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4790613}}
 
 @article{Loos_2013a,
-	Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4802589},
-	File = {/Users/loos/Zotero/storage/5Q2YJGTX/38.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = apr,
-	Number = {16},
-	Pages = {164124},
-	Title = {Uniform Electron Gases. {{I}}. {{Electrons}} on a Ring},
-	Volume = {138},
-	Year = {2013},
+	author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4802589},
+	file = {/Users/loos/Zotero/storage/5Q2YJGTX/38.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = apr,
+	number = {16},
+	pages = {164124},
+	title = {Uniform Electron Gases. {{I}}. {{Electrons}} on a Ring},
+	volume = {138},
+	year = {2013},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4802589}}
 
 @article{Loos_2014,
-	Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M.W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/j.physleta.2013.11.045},
-	File = {/Users/loos/Zotero/storage/BRNDKC4F/40.pdf},
-	Issn = {03759601},
-	Journal = {Phys. Lett. A},
-	Language = {en},
-	Month = jan,
-	Number = {4},
-	Pages = {329-333},
-	Title = {Exact Wave Functions for Concentric Two-Electron Systems},
-	Volume = {378},
-	Year = {2014},
+	author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M.W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/j.physleta.2013.11.045},
+	file = {/Users/loos/Zotero/storage/BRNDKC4F/40.pdf},
+	issn = {03759601},
+	journal = {Phys. Lett. A},
+	language = {en},
+	month = jan,
+	number = {4},
+	pages = {329-333},
+	title = {Exact Wave Functions for Concentric Two-Electron Systems},
+	volume = {378},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1016/j.physleta.2013.11.045}}
 
 @article{Loos_2014a,
-	Author = {Loos, Pierre-Fran{\c c}ois},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.89.052523},
-	File = {/Users/loos/Zotero/storage/E8XZBSLG/42.pdf},
-	Issn = {1050-2947, 1094-1622},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = may,
-	Number = {5},
-	Pages = {052523},
-	Title = {Generalized Local-Density Approximation and One-Dimensional Finite Uniform Electron Gases},
-	Volume = {89},
-	Year = {2014},
+	author = {Loos, Pierre-Fran{\c c}ois},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.89.052523},
+	file = {/Users/loos/Zotero/storage/E8XZBSLG/42.pdf},
+	issn = {1050-2947, 1094-1622},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = may,
+	number = {5},
+	pages = {052523},
+	title = {Generalized Local-Density Approximation and One-Dimensional Finite Uniform Electron Gases},
+	volume = {89},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.89.052523}}
 
 @article{Loos_2014b,
-	Author = {Loos, Pierre-Fran{\c c}ois and Ball, Caleb J. and Gill, Peter M. W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4867910},
-	File = {/Users/loos/Zotero/storage/QD667QG2/41.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = may,
-	Number = {18},
-	Pages = {18A524},
-	Title = {Uniform Electron Gases. {{II}}. {{The}} Generalized Local Density Approximation in One Dimension},
-	Volume = {140},
-	Year = {2014},
+	author = {Loos, Pierre-Fran{\c c}ois and Ball, Caleb J. and Gill, Peter M. W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4867910},
+	file = {/Users/loos/Zotero/storage/QD667QG2/41.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = may,
+	number = {18},
+	pages = {18A524},
+	title = {Uniform Electron Gases. {{II}}. {{The}} Generalized Local Density Approximation in One Dimension},
+	volume = {140},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4867910}}
 
 @article{Loos_2015b,
-	Author = {Loos, Pierre-Fran{\c c}ois and Bressanini, Dario},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4922159},
-	File = {/Users/loos/Zotero/storage/UBTEMR7G/45.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = jun,
-	Number = {21},
-	Pages = {214112},
-	Title = {Nodal Surfaces and Interdimensional Degeneracies},
-	Volume = {142},
-	Year = {2015},
+	author = {Loos, Pierre-Fran{\c c}ois and Bressanini, Dario},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4922159},
+	file = {/Users/loos/Zotero/storage/UBTEMR7G/45.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = jun,
+	number = {21},
+	pages = {214112},
+	title = {Nodal Surfaces and Interdimensional Degeneracies},
+	volume = {142},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4922159}}
 
 @article{Loos_2015d,
-	Author = {Loos, Pierre-Fran{\c c}ois and Bloomfield, Nathaniel J. and Gill, Peter M. W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4935374},
-	File = {/Users/loos/Zotero/storage/HEH82IUH/47.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = nov,
-	Number = {18},
-	Pages = {181101},
-	Shorttitle = {Communication},
-	Title = {Communication: {{Three}}-Electron Coalescence Points in Two and Three Dimensions},
-	Volume = {143},
-	Year = {2015},
+	author = {Loos, Pierre-Fran{\c c}ois and Bloomfield, Nathaniel J. and Gill, Peter M. W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4935374},
+	file = {/Users/loos/Zotero/storage/HEH82IUH/47.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = nov,
+	number = {18},
+	pages = {181101},
+	shorttitle = {Communication},
+	title = {Communication: {{Three}}-Electron Coalescence Points in Two and Three Dimensions},
+	volume = {143},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4935374}}
 
 @article{Loos_2016,
-	Author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/wcms.1257},
-	File = {/Users/loos/Zotero/storage/HEXYAMEN/50.pdf},
-	Issn = {17590876},
-	Journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
-	Language = {en},
-	Month = jul,
-	Number = {4},
-	Pages = {410-429},
-	Shorttitle = {The Uniform Electron Gas},
-	Title = {The Uniform Electron Gas},
-	Volume = {6},
-	Year = {2016},
+	author = {Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/wcms.1257},
+	file = {/Users/loos/Zotero/storage/HEXYAMEN/50.pdf},
+	issn = {17590876},
+	journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
+	language = {en},
+	month = jul,
+	number = {4},
+	pages = {410-429},
+	shorttitle = {The Uniform Electron Gas},
+	title = {The Uniform Electron Gas},
+	volume = {6},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1002/wcms.1257}}
 
 @article{Loos_2017,
-	Author = {Loos, Pierre-Fran{\c c}ois and Rivail, Jean-Louis and Assfeld, Xavier},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1007/s00894-017-3347-3},
-	File = {/Users/loos/Zotero/storage/BFLICA2H/55.pdf},
-	Issn = {1610-2940, 0948-5023},
-	Journal = {J. Mol. Model.},
-	Language = {en},
-	Month = jun,
-	Number = {6},
-	Title = {Iterative Stochastic Subspace Self-Consistent Field Method},
-	Volume = {23},
-	Year = {2017},
+	author = {Loos, Pierre-Fran{\c c}ois and Rivail, Jean-Louis and Assfeld, Xavier},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1007/s00894-017-3347-3},
+	file = {/Users/loos/Zotero/storage/BFLICA2H/55.pdf},
+	issn = {1610-2940, 0948-5023},
+	journal = {J. Mol. Model.},
+	language = {en},
+	month = jun,
+	number = {6},
+	title = {Iterative Stochastic Subspace Self-Consistent Field Method},
+	volume = {23},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1007/s00894-017-3347-3}}
 
 @article{Loos_2017a,
-	Author = {Loos, Pierre-Fran{\c c}ois},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4978409},
-	File = {/Users/loos/Zotero/storage/NJ3WTVZZ/54.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = mar,
-	Number = {11},
-	Pages = {114108},
-	Title = {Exchange Functionals Based on Finite Uniform Electron Gases},
-	Volume = {146},
-	Year = {2017},
+	author = {Loos, Pierre-Fran{\c c}ois},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4978409},
+	file = {/Users/loos/Zotero/storage/NJ3WTVZZ/54.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = mar,
+	number = {11},
+	pages = {114108},
+	title = {Exchange Functionals Based on Finite Uniform Electron Gases},
+	volume = {146},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4978409}}
 
 @article{Loos_2019,
-	Author = {Loos, Pierre-Fran{\c c}ois and Boggio-Pasqua, Martial and Scemama, Anthony and Caffarel, Michel and Jacquemin, Denis},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/acs.jctc.8b01205},
-	Journal = {J. Chem. Theory Comput.},
-	Number = {3},
-	Pages = {1939--1956},
-	Title = {Reference Energies for Double Excitations},
-	Volume = {15},
-	Year = {2019},
+	author = {Loos, Pierre-Fran{\c c}ois and Boggio-Pasqua, Martial and Scemama, Anthony and Caffarel, Michel and Jacquemin, Denis},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/acs.jctc.8b01205},
+	journal = {J. Chem. Theory Comput.},
+	number = {3},
+	pages = {1939--1956},
+	title = {Reference Energies for Double Excitations},
+	volume = {15},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b01205}}
 
 @article{Lorentzon_1995,
-	Author = {Lorentzon, Johan and Malmqvist, Per-Ake and Fiilscher, Markus},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	File = {/Users/loos/Zotero/storage/ZAU7G856/Lorentzon et al. - A CASPT2 study of the valence and lowest Rydberg e.pdf},
-	Journal = {Theor. Chim. Acta},
-	Language = {en},
-	Pages = {91--108},
-	Title = {A {{CASPT2}} Study of the Valence and Lowest {{Rydberg}} Electronic States of Benzene and Phenol},
-	Volume = {91},
-	Year = {1995}}
+	author = {Lorentzon, Johan and Malmqvist, Per-Ake and Fiilscher, Markus},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	file = {/Users/loos/Zotero/storage/ZAU7G856/Lorentzon et al. - A CASPT2 study of the valence and lowest Rydberg e.pdf},
+	journal = {Theor. Chim. Acta},
+	language = {en},
+	pages = {91--108},
+	title = {A {{CASPT2}} Study of the Valence and Lowest {{Rydberg}} Electronic States of Benzene and Phenol},
+	volume = {91},
+	year = {1995}}
 
 @article{Luchow_2007,
-	Author = {L{\"u}chow, Arne and Scott, Tony C},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1088/0953-4075/40/5/003},
-	File = {/Users/loos/Zotero/storage/RK6N4MTW/L{\"u}chow and Scott - 2007 - Nodal structure of Schr{\"o}dinger wavefunction gener.pdf},
-	Issn = {0953-4075, 1361-6455},
-	Journal = {J. Phys. B At. Mol. Opt. Phys.},
-	Language = {en},
-	Month = mar,
-	Number = {5},
-	Pages = {851-867},
-	Shorttitle = {Nodal Structure of {{Schr{\"o}dinger}} Wavefunction},
-	Title = {Nodal Structure of {{Schr{\"o}dinger}} Wavefunction: General Results and Specific Models},
-	Volume = {40},
-	Year = {2007},
+	author = {L{\"u}chow, Arne and Scott, Tony C},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1088/0953-4075/40/5/003},
+	file = {/Users/loos/Zotero/storage/RK6N4MTW/L{\"u}chow and Scott - 2007 - Nodal structure of Schr{\"o}dinger wavefunction gener.pdf},
+	issn = {0953-4075, 1361-6455},
+	journal = {J. Phys. B At. Mol. Opt. Phys.},
+	language = {en},
+	month = mar,
+	number = {5},
+	pages = {851-867},
+	shorttitle = {Nodal Structure of {{Schr{\"o}dinger}} Wavefunction},
+	title = {Nodal Structure of {{Schr{\"o}dinger}} Wavefunction: General Results and Specific Models},
+	volume = {40},
+	year = {2007},
 	Bdsk-Url-1 = {https://doi.org/10.1088/0953-4075/40/5/003}}
 
 @article{Luchow_2007a,
-	Author = {L{\"u}chow, Arne and Petz, Ren{\'e} and Scott, Tony C.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.2716640},
-	File = {/Users/loos/Zotero/storage/JSFYVU6P/L{\"u}chow et al. - 2007 - Direct optimization of nodal hypersurfaces in appr.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = apr,
-	Number = {14},
-	Pages = {144110},
-	Title = {Direct Optimization of Nodal Hypersurfaces in Approximate Wave Functions},
-	Volume = {126},
-	Year = {2007},
+	author = {L{\"u}chow, Arne and Petz, Ren{\'e} and Scott, Tony C.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.2716640},
+	file = {/Users/loos/Zotero/storage/JSFYVU6P/L{\"u}chow et al. - 2007 - Direct optimization of nodal hypersurfaces in appr.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = apr,
+	number = {14},
+	pages = {144110},
+	title = {Direct Optimization of Nodal Hypersurfaces in Approximate Wave Functions},
+	volume = {126},
+	year = {2007},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.2716640}}
 
 @article{Luchow_2010,
-	Author = {L{\"u}chow, Arne and Petz, Rene and Schwarz, Annett},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1524/zpch.2010.6109},
-	Issn = {0942-9352},
-	Journal = {Zeitschrift f{\"u}r Physikalische Chemie},
-	Month = {Apr},
-	Number = {3-4},
-	Pages = {343--355},
-	Publisher = {Walter de Gruyter GmbH},
-	Title = {Electron Structure Quantum Monte Carlo},
-	Url = {http://dx.doi.org/10.1524/zpch.2010.6109},
-	Volume = {224},
-	Year = {2010},
+	author = {L{\"u}chow, Arne and Petz, Rene and Schwarz, Annett},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1524/zpch.2010.6109},
+	issn = {0942-9352},
+	journal = {Zeitschrift f{\"u}r Physikalische Chemie},
+	month = {Apr},
+	number = {3-4},
+	pages = {343--355},
+	publisher = {Walter de Gruyter GmbH},
+	title = {Electron Structure Quantum Monte Carlo},
+	url = {http://dx.doi.org/10.1524/zpch.2010.6109},
+	volume = {224},
+	year = {2010},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1524/zpch.2010.6109}}
 
 @article{Luchow_2011,
-	Author = {L{\"u}chow, Arne},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/wcms.40},
-	Issn = {1759-0876},
-	Journal = {WIREs: Comput. Mol. Sci.},
-	Month = {Apr},
-	Number = {3},
-	Pages = {388--402},
-	Publisher = {Wiley-Blackwell},
-	Title = {Quantum Monte Carlo methods},
-	Url = {http://dx.doi.org/10.1002/wcms.40},
-	Volume = {1},
-	Year = {2011},
+	author = {L{\"u}chow, Arne},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/wcms.40},
+	issn = {1759-0876},
+	journal = {WIREs: Comput. Mol. Sci.},
+	month = {Apr},
+	number = {3},
+	pages = {388--402},
+	publisher = {Wiley-Blackwell},
+	title = {Quantum Monte Carlo methods},
+	url = {http://dx.doi.org/10.1002/wcms.40},
+	volume = {1},
+	year = {2011},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1002/wcms.40}}
 
 @article{Luchow_2015,
-	Author = {L{\"u}chow, Arne and Sturm, Alexander and Schulte, Christoph and Haghighi Mood, Kaveh},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4909554},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Feb},
-	Number = {8},
-	Pages = {084111},
-	Publisher = {AIP Publishing},
-	Title = {Generic expansion of the Jastrow correlation factor in polynomials satisfying symmetry and cusp conditions},
-	Url = {http://dx.doi.org/10.1063/1.4909554},
-	Volume = {142},
-	Year = {2015},
+	author = {L{\"u}chow, Arne and Sturm, Alexander and Schulte, Christoph and Haghighi Mood, Kaveh},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4909554},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Feb},
+	number = {8},
+	pages = {084111},
+	publisher = {AIP Publishing},
+	title = {Generic expansion of the Jastrow correlation factor in polynomials satisfying symmetry and cusp conditions},
+	url = {http://dx.doi.org/10.1063/1.4909554},
+	volume = {142},
+	year = {2015},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4909554}}
 
 @article{Luchow10,
-	Author = {A. L\"uchow and R. Petz and A. Schwarz},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Z. Physik. Chem.},
-	Keywords = {QMC; dft},
-	Pages = {343--355},
-	Title = {Electron Structure Quantum Monte Carlo},
-	Volume = {224},
-	Year = {2010}}
+	author = {A. L\"uchow and R. Petz and A. Schwarz},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Z. Physik. Chem.},
+	keywords = {QMC; dft},
+	pages = {343--355},
+	title = {Electron Structure Quantum Monte Carlo},
+	volume = {224},
+	year = {2010}}
 
 @article{Luna_1995,
-	Author = {Luna, Alberto and Merch\'an, Manuela and Ross, Bj\"orn O.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/0301-0104(95)00092-3},
-	Issn = {03010104},
-	Journal = {Chem. Phys.},
-	Language = {en},
-	Month = jul,
-	Number = {3},
-	Pages = {437-445},
-	Title = {A Theoretical Analysis of the Lowest Excited States in {{HNO}}/{{NOH}} and {{HPO}}/{{POH}}},
-	Volume = {196},
-	Year = {1995},
+	author = {Luna, Alberto and Merch\'an, Manuela and Ross, Bj\"orn O.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/0301-0104(95)00092-3},
+	issn = {03010104},
+	journal = {Chem. Phys.},
+	language = {en},
+	month = jul,
+	number = {3},
+	pages = {437-445},
+	title = {A Theoretical Analysis of the Lowest Excited States in {{HNO}}/{{NOH}} and {{HPO}}/{{POH}}},
+	volume = {196},
+	year = {1995},
 	Bdsk-Url-1 = {https://doi.org/10.1016/0301-0104(95)00092-3}}
 
 @article{Luo_1994,
-	Author = {Luo, Yi and Aagren, Hans and Stafstroem, Sven},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/j100083a007},
-	Issn = {0022-3654, 1541-5740},
-	Journal = {J. Phys. Chem.},
-	Language = {en},
-	Month = aug,
-	Number = {32},
-	Pages = {7782-7789},
-	Title = {One- and {{Two}}-{{Photon Absorption Spectra}} of {{Short Conjugated Polyenes}}},
-	Volume = {98},
-	Year = {1994},
+	author = {Luo, Yi and Aagren, Hans and Stafstroem, Sven},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/j100083a007},
+	issn = {0022-3654, 1541-5740},
+	journal = {J. Phys. Chem.},
+	language = {en},
+	month = aug,
+	number = {32},
+	pages = {7782-7789},
+	title = {One- and {{Two}}-{{Photon Absorption Spectra}} of {{Short Conjugated Polyenes}}},
+	volume = {98},
+	year = {1994},
 	Bdsk-Url-1 = {https://doi.org/10.1021/j100083a007}}
 
 @article{Ma_2005,
-	Author = {M. Ma and M. D. Towler and N. D. Drummond and R. J. Needs},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Phys. Rev. B},
-	Pages = {224322},
-	Volume = {122},
-	Year = {2005}}
+	author = {M. Ma and M. D. Towler and N. D. Drummond and R. J. Needs},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Phys. Rev. B},
+	pages = {224322},
+	volume = {122},
+	year = {2005}}
 
 @article{Mahapatra_2008,
-	Author = {Mahapatra, Uttam Sinha and Chattopadhyay, Sudip and Chaudhuri, Rajat K.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.2952666},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = jul,
-	Number = {2},
-	Pages = {024108},
-	Title = {Molecular Applications of State-Specific Multireference Perturbation Theory to {{HF}}, {{H2O}}, {{H2S}}, {{C2}}, and {{N2}} Molecules},
-	Volume = {129},
-	Year = {2008},
+	author = {Mahapatra, Uttam Sinha and Chattopadhyay, Sudip and Chaudhuri, Rajat K.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.2952666},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = jul,
+	number = {2},
+	pages = {024108},
+	title = {Molecular Applications of State-Specific Multireference Perturbation Theory to {{HF}}, {{H2O}}, {{H2S}}, {{C2}}, and {{N2}} Molecules},
+	volume = {129},
+	year = {2008},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.2952666}}
 
 @inbook{Maitra_2012,
-	Address = {Berlin, Heidelberg},
-	Author = {Maitra, Neepa T.},
-	Booktitle = {Fundamentals of Time-Dependent Density Functional Theory},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1007/978-3-642-23518-4_8},
-	Editor = {Marques, Miguel A.L. and Maitra, Neepa T. and Nogueira, Fernando M.S. and Gross, E.K.U. and Rubio, Angel},
-	File = {/Users/loos/Zotero/storage/MAFNZHIQ/Maitra - 2012 - Memory History , Initial-State Dependence , and D.pdf},
-	Isbn = {978-3-642-23517-7 978-3-642-23518-4},
-	Pages = {167-184},
-	Publisher = {Springer Berlin Heidelberg},
-	Title = {Memory: History , Initial-State Dependence , and Double-Excitations},
-	Volume = {837},
-	Year = {2012},
+	address = {Berlin, Heidelberg},
+	author = {Maitra, Neepa T.},
+	booktitle = {Fundamentals of Time-Dependent Density Functional Theory},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1007/978-3-642-23518-4_8},
+	editor = {Marques, Miguel A.L. and Maitra, Neepa T. and Nogueira, Fernando M.S. and Gross, E.K.U. and Rubio, Angel},
+	file = {/Users/loos/Zotero/storage/MAFNZHIQ/Maitra - 2012 - Memory History , Initial-State Dependence , and D.pdf},
+	isbn = {978-3-642-23517-7 978-3-642-23518-4},
+	pages = {167-184},
+	publisher = {Springer Berlin Heidelberg},
+	title = {Memory: History , Initial-State Dependence , and Double-Excitations},
+	volume = {837},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1007/978-3-642-23518-4_8}}
 
 @article{Maitra_2017,
-	Author = {N. T. Maitra},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1088/1361-648X/aa836e},
-	Journal = {J. Phys. Cond. Matt.},
-	Pages = {423001},
-	Title = {Charge Transfer In Time-Dependent Density Functional Theory},
-	Volume = {29},
-	Year = {2017},
+	author = {N. T. Maitra},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1088/1361-648X/aa836e},
+	journal = {J. Phys. Cond. Matt.},
+	pages = {423001},
+	title = {Charge Transfer In Time-Dependent Density Functional Theory},
+	volume = {29},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1088/1361-648X/aa836e}}
 
 @article{Malet_2012,
-	Author = {Malet, Francesc and {Gori-Giorgi}, Paola},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.109.246402},
-	File = {/Users/loos/Zotero/storage/8XH47Q89/Malet and Gori-Giorgi - 2012 - Strong Correlation in Kohn-Sham Density Functional.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = dec,
-	Number = {24},
-	Title = {Strong {{Correlation}} in {{Kohn}}-{{Sham Density Functional Theory}}},
-	Volume = {109},
-	Year = {2012},
+	author = {Malet, Francesc and {Gori-Giorgi}, Paola},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.109.246402},
+	file = {/Users/loos/Zotero/storage/8XH47Q89/Malet and Gori-Giorgi - 2012 - Strong Correlation in Kohn-Sham Density Functional.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = dec,
+	number = {24},
+	title = {Strong {{Correlation}} in {{Kohn}}-{{Sham Density Functional Theory}}},
+	volume = {109},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.109.246402}}
 
 @article{Manathunga_2016,
-	Author = {Manathunga, Madushanka and Yang, Xuchun and Luk, Hoi Ling and Gozem, Samer and Frutos, Luis Manuel and Valentini, Alessio and Ferr\`e, Nicolas and Olivucci, Massimo},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/acs.jctc.5b00945},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = feb,
-	Number = {2},
-	Pages = {839-850},
-	Title = {Probing the {{Photodynamics}} of {{Rhodopsins}} with {{Reduced Retinal Chromophores}}},
-	Volume = {12},
-	Year = {2016},
+	author = {Manathunga, Madushanka and Yang, Xuchun and Luk, Hoi Ling and Gozem, Samer and Frutos, Luis Manuel and Valentini, Alessio and Ferr\`e, Nicolas and Olivucci, Massimo},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/acs.jctc.5b00945},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = feb,
+	number = {2},
+	pages = {839-850},
+	title = {Probing the {{Photodynamics}} of {{Rhodopsins}} with {{Reduced Retinal Chromophores}}},
+	volume = {12},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.5b00945}}
 
 @article{Manten_2001,
-	Author = {Manten, Sebastian and L{\"u}chow, Arne},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.1394757},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Sep},
-	Number = {12},
-	Pages = {5362--5366},
-	Publisher = {AIP Publishing},
-	Title = {On the accuracy of the fixed-node diffusion quantum Monte Carlo method},
-	Url = {http://dx.doi.org/10.1063/1.1394757},
-	Volume = {115},
-	Year = {2001},
+	author = {Manten, Sebastian and L{\"u}chow, Arne},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.1394757},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Sep},
+	number = {12},
+	pages = {5362--5366},
+	publisher = {AIP Publishing},
+	title = {On the accuracy of the fixed-node diffusion quantum Monte Carlo method},
+	url = {http://dx.doi.org/10.1063/1.1394757},
+	volume = {115},
+	year = {2001},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.1394757}}
 
 @article{Marquart_1963,
-	Author = {Marquart, J. R. and Berkowitz, J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.1734242},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Jul},
-	Number = {2},
-	Pages = {283--285},
-	Publisher = {AIP Publishing},
-	Title = {Dissociation Energies of Some Metal Sulfides},
-	Url = {http://dx.doi.org/10.1063/1.1734242},
-	Volume = {39},
-	Year = {1963},
+	author = {Marquart, J. R. and Berkowitz, J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.1734242},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Jul},
+	number = {2},
+	pages = {283--285},
+	publisher = {AIP Publishing},
+	title = {Dissociation Energies of Some Metal Sulfides},
+	url = {http://dx.doi.org/10.1063/1.1734242},
+	volume = {39},
+	year = {1963},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.1734242}}
 
 @article{Mason_1959,
-	Author = {Mason, S. F.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1039/JR9590001263},
-	Issn = {0368-1769},
-	Journal = {J. Chem. Soc.},
-	Language = {en},
-	Number = {0},
-	Pages = {1263-1268},
-	Title = {248. {{The}} Electronic Spectra of {{N}}-Heteroaromatic Systems. {{Part IV}}. {{The}} Vibrational Structure of the N$\rightarrow\pi$ Band of Sym-Tetrazine},
-	Volume = {0},
-	Year = {1959},
+	author = {Mason, S. F.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1039/JR9590001263},
+	issn = {0368-1769},
+	journal = {J. Chem. Soc.},
+	language = {en},
+	number = {0},
+	pages = {1263-1268},
+	title = {248. {{The}} Electronic Spectra of {{N}}-Heteroaromatic Systems. {{Part IV}}. {{The}} Vibrational Structure of the N$\rightarrow\pi$ Band of Sym-Tetrazine},
+	volume = {0},
+	year = {1959},
 	Bdsk-Url-1 = {https://doi.org/10.1039/JR9590001263}}
 
 @article{Matos_1987,
-	Author = {Matos, J. Mauricio O. and Roos, Bj\"orn O. and Malmqvist, Per-\AA{}ke},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.452235},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = feb,
-	Number = {3},
-	Pages = {1458-1466},
-	Title = {A {{CASSCF}}-{{CCI}} Study of the Valence and Lower Excited States of the Benzene Molecule},
-	Volume = {86},
-	Year = {1987},
+	author = {Matos, J. Mauricio O. and Roos, Bj\"orn O. and Malmqvist, Per-\AA{}ke},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.452235},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = feb,
+	number = {3},
+	pages = {1458-1466},
+	title = {A {{CASSCF}}-{{CCI}} Study of the Valence and Lower Excited States of the Benzene Molecule},
+	volume = {86},
+	year = {1987},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.452235}}
 
 @article{Matthew_2017,
-	Author = {Matthew, Daniel J. and Tieu, Erick and Morse, Michael D.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4979679},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Apr},
-	Number = {14},
-	Pages = {144310},
-	Publisher = {AIP Publishing},
-	Title = {Determination of the bond dissociation energies of FeX and NiX (X = C, S, Se)},
-	Url = {http://dx.doi.org/10.1063/1.4979679},
-	Volume = {146},
-	Year = {2017},
+	author = {Matthew, Daniel J. and Tieu, Erick and Morse, Michael D.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4979679},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Apr},
+	number = {14},
+	pages = {144310},
+	publisher = {AIP Publishing},
+	title = {Determination of the bond dissociation energies of FeX and NiX (X = C, S, Se)},
+	url = {http://dx.doi.org/10.1063/1.4979679},
+	volume = {146},
+	year = {2017},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4979679}}
 
 @article{Mayle_2007,
-	Author = {Michael Mayle and Bernd Hezel and Igor Lesanovsky and Peter Schmelcher},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Phys. Rev. Lett.},
-	Pages = {113004},
-	Title = {One-Dimensional Rydberg Gas in a Magnetoelectric Trap},
-	Volume = {99},
-	Year = {2007}}
+	author = {Michael Mayle and Bernd Hezel and Igor Lesanovsky and Peter Schmelcher},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Phys. Rev. Lett.},
+	pages = {113004},
+	title = {One-Dimensional Rydberg Gas in a Magnetoelectric Trap},
+	volume = {99},
+	year = {2007}}
 
 @article{Mazur_2009,
-	Author = {Mazur, Grzegorz and W\l{}odarczyk, Rados\l{}aw},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/jcc.21102},
-	File = {/Users/loos/Zotero/storage/6CVASLJL/Mazur and W{\l}odarczyk - 2009 - Application of the dressed time-dependent density .pdf},
-	Issn = {01928651, 1096987X},
-	Journal = {J. Comput. Chem.},
-	Language = {en},
-	Month = apr,
-	Number = {5},
-	Pages = {811-817},
-	Title = {Application of the Dressed Time-Dependent Density Functional Theory for the Excited States of Linear Polyenes},
-	Volume = {30},
-	Year = {2009},
+	author = {Mazur, Grzegorz and W\l{}odarczyk, Rados\l{}aw},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/jcc.21102},
+	file = {/Users/loos/Zotero/storage/6CVASLJL/Mazur and W{\l}odarczyk - 2009 - Application of the dressed time-dependent density .pdf},
+	issn = {01928651, 1096987X},
+	journal = {J. Comput. Chem.},
+	language = {en},
+	month = apr,
+	number = {5},
+	pages = {811-817},
+	title = {Application of the Dressed Time-Dependent Density Functional Theory for the Excited States of Linear Polyenes},
+	volume = {30},
+	year = {2009},
 	Bdsk-Url-1 = {https://doi.org/10.1002/jcc.21102}}
 
 @article{Mazur_2011,
-	Author = {Mazur, Grzegorz and Makowski, Marcin and W\l{}odarczyk, Rados\l{}aw and Aoki, Yuriko},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/qua.22876},
-	File = {/Users/loos/Zotero/storage/AY9ELBET/Mazur et al. - 2011 - Dressed TDDFT study of low-lying electronic excite.pdf},
-	Issn = {00207608},
-	Journal = {Int. J. Quantum Chem.},
-	Language = {en},
-	Month = mar,
-	Number = {4},
-	Pages = {819-825},
-	Title = {Dressed {{TDDFT}} Study of Low-Lying Electronic Excited States in Selected Linear Polyenes and Diphenylopolyenes},
-	Volume = {111},
-	Year = {2011},
+	author = {Mazur, Grzegorz and Makowski, Marcin and W\l{}odarczyk, Rados\l{}aw and Aoki, Yuriko},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/qua.22876},
+	file = {/Users/loos/Zotero/storage/AY9ELBET/Mazur et al. - 2011 - Dressed TDDFT study of low-lying electronic excite.pdf},
+	issn = {00207608},
+	journal = {Int. J. Quantum Chem.},
+	language = {en},
+	month = mar,
+	number = {4},
+	pages = {819-825},
+	title = {Dressed {{TDDFT}} Study of Low-Lying Electronic Excited States in Selected Linear Polyenes and Diphenylopolyenes},
+	volume = {111},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1002/qua.22876}}
 
 @article{McDiarmid_1985,
-	Author = {McDiarmid, R. and Sablji\'c, A. and Doering, J. P.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.449304},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = sep,
-	Number = {5},
-	Pages = {2147-2152},
-	Title = {Valence Transitions in 1,3-cyclopentadiene, 1,3-cyclohexadiene, and 1,3-cycloheptadiene},
-	Volume = {83},
-	Year = {1985},
+	author = {McDiarmid, R. and Sablji\'c, A. and Doering, J. P.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.449304},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = sep,
+	number = {5},
+	pages = {2147-2152},
+	title = {Valence Transitions in 1,3-cyclopentadiene, 1,3-cyclohexadiene, and 1,3-cycloheptadiene},
+	volume = {83},
+	year = {1985},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.449304}}
 
 @article{McDiarmid_1988,
-	Author = {McDiarmid, Ruth and Sheybani, Abdol-Hakim},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.455177},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = aug,
-	Number = {3},
-	Pages = {1255-1261},
-	Title = {Reinterpretation of the Main Absorption Band of 1,3-butadiene},
-	Volume = {89},
-	Year = {1988},
+	author = {McDiarmid, Ruth and Sheybani, Abdol-Hakim},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.455177},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = aug,
+	number = {3},
+	pages = {1255-1261},
+	title = {Reinterpretation of the Main Absorption Band of 1,3-butadiene},
+	volume = {89},
+	year = {1988},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.455177}}
 
 @article{McDonald_1933,
-	Author = {J. K. L. McDonald},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Phys. Rev.},
-	Pages = {830},
-	Volume = {43},
-	Year = {1933}}
+	author = {J. K. L. McDonald},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Phys. Rev.},
+	pages = {830},
+	volume = {43},
+	year = {1933}}
 
 @article{Melton_2016,
-	Author = {Melton, Cody A. and Zhu, Minyi and Guo, Shi and Ambrosetti, Alberto and Pederiva, Francesco and Mit\'a\v{s}, Lubos},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/physreva.93.042502},
-	Issn = {2469-9934},
-	Journal = {Phys. Rev. A},
-	Month = {Apr},
-	Number = {4},
-	Publisher = {American Physical Society (APS)},
-	Title = {Spin-orbit interactions in electronic structure quantum Monte Carlo methods},
-	Url = {http://dx.doi.org/10.1103/PhysRevA.93.042502},
-	Volume = {93},
-	Year = {2016},
+	author = {Melton, Cody A. and Zhu, Minyi and Guo, Shi and Ambrosetti, Alberto and Pederiva, Francesco and Mit\'a\v{s}, Lubos},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/physreva.93.042502},
+	issn = {2469-9934},
+	journal = {Phys. Rev. A},
+	month = {Apr},
+	number = {4},
+	publisher = {American Physical Society (APS)},
+	title = {Spin-orbit interactions in electronic structure quantum Monte Carlo methods},
+	url = {http://dx.doi.org/10.1103/PhysRevA.93.042502},
+	volume = {93},
+	year = {2016},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevA.93.042502},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1103/physreva.93.042502}}
 
 @article{Merchan_1995,
-	Author = {Merch\'an, Manuela and Roos, Bj\"orn O.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1007/BF01125948},
-	Issn = {0040-5744, 1432-2234},
-	Journal = {Theor. Chem. Acc.},
-	Language = {en},
-	Month = oct,
-	Number = {4},
-	Pages = {227-239},
-	Title = {A Theoretical Determination of the Electronic Spectrum of Formaldehyde},
-	Volume = {92},
-	Year = {1995},
+	author = {Merch\'an, Manuela and Roos, Bj\"orn O.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1007/BF01125948},
+	issn = {0040-5744, 1432-2234},
+	journal = {Theor. Chem. Acc.},
+	language = {en},
+	month = oct,
+	number = {4},
+	pages = {227-239},
+	title = {A Theoretical Determination of the Electronic Spectrum of Formaldehyde},
+	volume = {92},
+	year = {1995},
 	Bdsk-Url-1 = {https://doi.org/10.1007/BF01125948}}
 
 @article{Meyer_2009,
-	Author = {J. S. Meyer and K. A. Matveev},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1088/0953-8984/21/2/023203},
-	Journal = {J. Phys.: Condens. Matter},
-	Pages = {023203},
-	Title = {Wigner crystal physics in quantum wires},
-	Volume = {21},
-	Year = {2009},
+	author = {J. S. Meyer and K. A. Matveev},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1088/0953-8984/21/2/023203},
+	journal = {J. Phys.: Condens. Matter},
+	pages = {023203},
+	title = {Wigner crystal physics in quantum wires},
+	volume = {21},
+	year = {2009},
 	Bdsk-Url-1 = {https://doi.org/10.1088/0953-8984/21/2/023203}}
 
 @article{Minezawa_2009,
-	Author = {Minezawa, Noriyuki and Gordon, Mark S.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/jp908032x},
-	Issn = {1089-5639, 1520-5215},
-	Journal = {J. Phys. Chem. A},
-	Language = {en},
-	Month = nov,
-	Number = {46},
-	Pages = {12749-12753},
-	Shorttitle = {Optimizing {{Conical Intersections}} by {{Spin}}-{{Flip Density Functional Theory}}},
-	Title = {Optimizing {{Conical Intersections}} by {{Spin}}-{{Flip Density Functional Theory}}: {{Application}} to {{Ethylene}}},
-	Volume = {113},
-	Year = {2009},
+	author = {Minezawa, Noriyuki and Gordon, Mark S.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/jp908032x},
+	issn = {1089-5639, 1520-5215},
+	journal = {J. Phys. Chem. A},
+	language = {en},
+	month = nov,
+	number = {46},
+	pages = {12749-12753},
+	shorttitle = {Optimizing {{Conical Intersections}} by {{Spin}}-{{Flip Density Functional Theory}}},
+	title = {Optimizing {{Conical Intersections}} by {{Spin}}-{{Flip Density Functional Theory}}: {{Application}} to {{Ethylene}}},
+	volume = {113},
+	year = {2009},
 	Bdsk-Url-1 = {https://doi.org/10.1021/jp908032x}}
 
 @article{Minezawa_2009a,
-	Author = {Minezawa, Noriyuki and Gordon, Mark S.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/jp908032x},
-	Issn = {1089-5639, 1520-5215},
-	Journal = {J. Phys. Chem. A},
-	Language = {en},
-	Month = nov,
-	Number = {46},
-	Pages = {12749-12753},
-	Shorttitle = {Optimizing {{Conical Intersections}} by {{Spin}}-{{Flip Density Functional Theory}}},
-	Title = {Optimizing {{Conical Intersections}} by {{Spin}}-{{Flip Density Functional Theory}}: {{Application}} to {{Ethylene}}},
-	Volume = {113},
-	Year = {2009},
+	author = {Minezawa, Noriyuki and Gordon, Mark S.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/jp908032x},
+	issn = {1089-5639, 1520-5215},
+	journal = {J. Phys. Chem. A},
+	language = {en},
+	month = nov,
+	number = {46},
+	pages = {12749-12753},
+	shorttitle = {Optimizing {{Conical Intersections}} by {{Spin}}-{{Flip Density Functional Theory}}},
+	title = {Optimizing {{Conical Intersections}} by {{Spin}}-{{Flip Density Functional Theory}}: {{Application}} to {{Ethylene}}},
+	volume = {113},
+	year = {2009},
 	Bdsk-Url-1 = {https://doi.org/10.1021/jp908032x}}
 
 @article{Miranda_2005,
-	Author = {Miranda, Katrina M.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/j.ccr.2004.08.010},
-	Issn = {00108545},
-	Journal = {Coord. Chem. Rev.},
-	Language = {en},
-	Month = feb,
-	Number = {3-4},
-	Pages = {433-455},
-	Title = {The Chemistry of Nitroxyl ({{HNO}}) and Implications in Biology},
-	Volume = {249},
-	Year = {2005},
+	author = {Miranda, Katrina M.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/j.ccr.2004.08.010},
+	issn = {00108545},
+	journal = {Coord. Chem. Rev.},
+	language = {en},
+	month = feb,
+	number = {3-4},
+	pages = {433-455},
+	title = {The Chemistry of Nitroxyl ({{HNO}}) and Implications in Biology},
+	volume = {249},
+	year = {2005},
 	Bdsk-Url-1 = {https://doi.org/10.1016/j.ccr.2004.08.010}}
 
 @article{Mirtschink_2013,
-	Author = {Mirtschink, Andr\'e and Seidl, Michael and {Gori-Giorgi}, Paola},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.111.126402},
-	File = {/Users/loos/Zotero/storage/MWU5VCE9/Mirtschink et al. - 2013 - Derivative Discontinuity in the Strong-Interaction.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = sep,
-	Number = {12},
-	Title = {Derivative {{Discontinuity}} in the {{Strong}}-{{Interaction Limit}} of {{Density}}-{{Functional Theory}}},
-	Volume = {111},
-	Year = {2013},
+	author = {Mirtschink, Andr\'e and Seidl, Michael and {Gori-Giorgi}, Paola},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.111.126402},
+	file = {/Users/loos/Zotero/storage/MWU5VCE9/Mirtschink et al. - 2013 - Derivative Discontinuity in the Strong-Interaction.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = sep,
+	number = {12},
+	title = {Derivative {{Discontinuity}} in the {{Strong}}-{{Interaction Limit}} of {{Density}}-{{Functional Theory}}},
+	volume = {111},
+	year = {2013},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.111.126402}}
 
 @article{Mitas_1991,
-	Author = {Lubo{\v{s}} Mit{\'{a}}{\v{s}} and Eric L. Shirley and David M. Ceperley},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
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-	Journal = {J. Chem. Phys.},
-	Month = {sep},
-	Number = {5},
-	Pages = {3467--3475},
-	Publisher = {{AIP} Publishing},
-	Title = {Nonlocal pseudopotentials and diffusion Monte Carlo},
-	Url = {https://doi.org/10.1063%2F1.460849},
-	Volume = {95},
-	Year = 1991,
+	author = {Lubo{\v{s}} Mit{\'{a}}{\v{s}} and Eric L. Shirley and David M. Ceperley},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.460849},
+	journal = {J. Chem. Phys.},
+	month = {sep},
+	number = {5},
+	pages = {3467--3475},
+	publisher = {{AIP} Publishing},
+	title = {Nonlocal pseudopotentials and diffusion Monte Carlo},
+	url = {https://doi.org/10.1063%2F1.460849},
+	volume = {95},
+	year = 1991,
 	Bdsk-Url-1 = {https://doi.org/10.1063%2F1.460849},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.460849}}
 
 @inbook{Mitas_1993,
-	Author = {L. Mit\'a\v{s}},
-	Booktitle = {Computer Simulations Studies in Condensed Matter V},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Editor = {D. P. Landau and K. K. Mon and H. B. Sch\"uttler},
-	Pages = {94},
-	Publisher = {Springer, Berlin},
-	Year = {1993}}
+	author = {L. Mit\'a\v{s}},
+	booktitle = {Computer Simulations Studies in Condensed Matter V},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	editor = {D. P. Landau and K. K. Mon and H. B. Sch\"uttler},
+	pages = {94},
+	publisher = {Springer, Berlin},
+	year = {1993}}
 
 @article{Mitas_1994,
-	Author = {L. Mit\'a\v{s}},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.49.4411},
-	Issue = {6},
-	Journal = {Phys. Rev. A},
-	Month = {Jun},
-	Numpages = {0},
-	Pages = {4411--4414},
-	Publisher = {American Physical Society},
-	Title = {Quantum Monte Carlo calculation of the Fe atom},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevA.49.4411},
-	Volume = {49},
-	Year = {1994},
+	author = {L. Mit\'a\v{s}},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.49.4411},
+	issue = {6},
+	journal = {Phys. Rev. A},
+	month = {Jun},
+	numpages = {0},
+	pages = {4411--4414},
+	publisher = {American Physical Society},
+	title = {Quantum Monte Carlo calculation of the Fe atom},
+	url = {https://link.aps.org/doi/10.1103/PhysRevA.49.4411},
+	volume = {49},
+	year = {1994},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevA.49.4411},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevA.49.4411}}
 
 @article{Mitas_2006,
-	Author = {Mitas, Lubos},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.96.240402},
-	File = {/Users/loos/Zotero/storage/8RF2NYW3/Mitas - 2006 - Structure of Fermion Nodes and Nodal Cells.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = jun,
-	Number = {24},
-	Pages = {240402},
-	Title = {Structure of {{Fermion Nodes}} and {{Nodal Cells}}},
-	Volume = {96},
-	Year = {2006},
+	author = {Mitas, Lubos},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.96.240402},
+	file = {/Users/loos/Zotero/storage/8RF2NYW3/Mitas - 2006 - Structure of Fermion Nodes and Nodal Cells.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = jun,
+	number = {24},
+	pages = {240402},
+	title = {Structure of {{Fermion Nodes}} and {{Nodal Cells}}},
+	volume = {96},
+	year = {2006},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.96.240402}}
 
 @article{Moreau_2004,
-	Author = {Moreau, Y. and Loos, P.-F. and Assfeld, X.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1007/s00214-004-0581-4},
-	File = {/Users/loos/Zotero/storage/I2GBGPYP/1.pdf},
-	Issn = {1432-881X, 1432-2234},
-	Journal = {Theor. Chem. Acc.},
-	Language = {en},
-	Month = sep,
-	Number = {4},
-	Shorttitle = {Solvent Effects on the Asymmetric {{Diels}}?},
-	Title = {Solvent Effects on the Asymmetric {{Diels}}?{{Alder}} Reaction between Cyclopentadiene and (?)-Menthyl Acrylate Revisited with the Three-Layer Hybrid Local Self-Consistent Field/Molecular Mechanics/Self-Consistent Reaction Field Method},
-	Volume = {112},
-	Year = {2004},
+	author = {Moreau, Y. and Loos, P.-F. and Assfeld, X.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1007/s00214-004-0581-4},
+	file = {/Users/loos/Zotero/storage/I2GBGPYP/1.pdf},
+	issn = {1432-881X, 1432-2234},
+	journal = {Theor. Chem. Acc.},
+	language = {en},
+	month = sep,
+	number = {4},
+	shorttitle = {Solvent Effects on the Asymmetric {{Diels}}?},
+	title = {Solvent Effects on the Asymmetric {{Diels}}?{{Alder}} Reaction between Cyclopentadiene and (?)-Menthyl Acrylate Revisited with the Three-Layer Hybrid Local Self-Consistent Field/Molecular Mechanics/Self-Consistent Reaction Field Method},
+	volume = {112},
+	year = {2004},
 	Bdsk-Url-1 = {https://doi.org/10.1007/s00214-004-0581-4}}
 
 @article{Mori-Sanchez_2008,
-	Author = {{Mori-S\'anchez}, Paula and Cohen, Aron J. and Yang, Weitao},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.100.146401},
-	File = {/Users/loos/Zotero/storage/Y4U67Q4C/Mori-S{\'a}nchez et al. - 2008 - Localization and Delocalization Errors in Density .pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = apr,
-	Number = {14},
-	Title = {Localization and {{Delocalization Errors}} in {{Density Functional Theory}} and {{Implications}} for {{Band}}-{{Gap Prediction}}},
-	Volume = {100},
-	Year = {2008},
+	author = {{Mori-S\'anchez}, Paula and Cohen, Aron J. and Yang, Weitao},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.100.146401},
+	file = {/Users/loos/Zotero/storage/Y4U67Q4C/Mori-S{\'a}nchez et al. - 2008 - Localization and Delocalization Errors in Density .pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = apr,
+	number = {14},
+	title = {Localization and {{Delocalization Errors}} in {{Density Functional Theory}} and {{Implications}} for {{Band}}-{{Gap Prediction}}},
+	volume = {100},
+	year = {2008},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.100.146401}}
 
 @article{Mori-Sanchez_2009,
-	Author = {{Mori-S\'anchez}, Paula and Cohen, Aron J. and Yang, Weitao},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.102.066403},
-	File = {/Users/loos/Zotero/storage/Y55S3LBQ/Mori-S{\'a}nchez et al. - 2009 - Discontinuous Nature of the Exchange-Correlation F.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = feb,
-	Number = {6},
-	Title = {Discontinuous {{Nature}} of the {{Exchange}}-{{Correlation Functional}} in {{Strongly Correlated Systems}}},
-	Volume = {102},
-	Year = {2009},
+	author = {{Mori-S\'anchez}, Paula and Cohen, Aron J. and Yang, Weitao},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.102.066403},
+	file = {/Users/loos/Zotero/storage/Y55S3LBQ/Mori-S{\'a}nchez et al. - 2009 - Discontinuous Nature of the Exchange-Correlation F.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = feb,
+	number = {6},
+	title = {Discontinuous {{Nature}} of the {{Exchange}}-{{Correlation Functional}} in {{Strongly Correlated Systems}}},
+	volume = {102},
+	year = {2009},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.102.066403}}
 
 @article{Mori-Sanchez_2012,
-	Author = {{Mori-S\'anchez}, Paula and Cohen, Aron J. and Yang, Weitao},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.85.042507},
-	File = {/Users/loos/Zotero/storage/E9F5G9CV/Mori-S{\'a}nchez et al. - 2012 - Failure of the random-phase-approximation correlat.pdf},
-	Issn = {1050-2947, 1094-1622},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = apr,
-	Number = {4},
-	Title = {Failure of the Random-Phase-Approximation Correlation Energy},
-	Volume = {85},
-	Year = {2012},
+	author = {{Mori-S\'anchez}, Paula and Cohen, Aron J. and Yang, Weitao},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.85.042507},
+	file = {/Users/loos/Zotero/storage/E9F5G9CV/Mori-S{\'a}nchez et al. - 2012 - Failure of the random-phase-approximation correlat.pdf},
+	issn = {1050-2947, 1094-1622},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = apr,
+	number = {4},
+	title = {Failure of the Random-Phase-Approximation Correlation Energy},
+	volume = {85},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.85.042507}}
 
 @article{Mori-Sanchez_2014,
-	Author = {{Mori-S\'anchez}, Paula and Cohen, Aron J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1039/C4CP01170H},
-	File = {/Users/loos/Zotero/storage/EIX2IAFR/Mori-S{\'a}nchez and Cohen - 2014 - The derivative discontinuity of the exchange--corre.pdf},
-	Issn = {1463-9076, 1463-9084},
-	Journal = {Phys Chem Chem Phys},
-	Language = {en},
-	Number = {28},
-	Pages = {14378-14387},
-	Title = {The Derivative Discontinuity of the Exchange\textendash{}Correlation Functional},
-	Volume = {16},
-	Year = {2014},
+	author = {{Mori-S\'anchez}, Paula and Cohen, Aron J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1039/C4CP01170H},
+	file = {/Users/loos/Zotero/storage/EIX2IAFR/Mori-S{\'a}nchez and Cohen - 2014 - The derivative discontinuity of the exchange--corre.pdf},
+	issn = {1463-9076, 1463-9084},
+	journal = {Phys Chem Chem Phys},
+	language = {en},
+	number = {28},
+	pages = {14378-14387},
+	title = {The Derivative Discontinuity of the Exchange\textendash{}Correlation Functional},
+	volume = {16},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1039/C4CP01170H}}
 
 @article{Mori-Sanchez_2018,
-	Abstract = {A stochastic minimization method for a real-space wave function, $\Psi$(r1, r2...rn), constrained to a chosen density, $\rho$(r), is developed. It enables the explicit calculation of the Levy constrained search, F[$\rho$] = min$\Psi\rightarrow\rho$\langle$\Psi$|T\^ + V\^ ee|$\Psi$\rangle, which gives the exact functional of density functional theory. This general method is illustrated in the evaluation of F[$\rho$] for densities in one dimension with a soft-Coulomb interaction. Additionally, procedures are given to determine the first and second functional derivatives, $\delta$F/$\delta\rho$(r) and $\delta$2F/[$\delta\rho$(r)$\delta\rho$(r${'}$)]. For a chosen external potential, v(r), the functional and its derivatives are used in minimizations over densities to give the exact energy, Ev, without needing to solve the Schr\"odinger equation.},
-	Author = {{Mori-S\'anchez}, Paula and Cohen, Aron J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/acs.jpclett.8b02332},
-	File = {/Users/loos/Zotero/storage/YCB2R94I/Mori-S{\'a}nchez and Cohen - 2018 - Exact Density Functional Obtained via the Levy Con.pdf},
-	Issn = {1948-7185},
-	Journal = {J. Phys. Chem. Lett.},
-	Language = {en},
-	Month = sep,
-	Number = {17},
-	Pages = {4910-4914},
-	Title = {Exact {{Density Functional Obtained}} via the {{Levy Constrained Search}}},
-	Volume = {9},
-	Year = {2018},
+	abstract = {A stochastic minimization method for a real-space wave function, $\Psi$(r1, r2...rn), constrained to a chosen density, $\rho$(r), is developed. It enables the explicit calculation of the Levy constrained search, F[$\rho$] = min$\Psi\rightarrow\rho$\langle$\Psi$|T\^ + V\^ ee|$\Psi$\rangle, which gives the exact functional of density functional theory. This general method is illustrated in the evaluation of F[$\rho$] for densities in one dimension with a soft-Coulomb interaction. Additionally, procedures are given to determine the first and second functional derivatives, $\delta$F/$\delta\rho$(r) and $\delta$2F/[$\delta\rho$(r)$\delta\rho$(r${'}$)]. For a chosen external potential, v(r), the functional and its derivatives are used in minimizations over densities to give the exact energy, Ev, without needing to solve the Schr\"odinger equation.},
+	author = {{Mori-S\'anchez}, Paula and Cohen, Aron J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/acs.jpclett.8b02332},
+	file = {/Users/loos/Zotero/storage/YCB2R94I/Mori-S{\'a}nchez and Cohen - 2018 - Exact Density Functional Obtained via the Levy Con.pdf},
+	issn = {1948-7185},
+	journal = {J. Phys. Chem. Lett.},
+	language = {en},
+	month = sep,
+	number = {17},
+	pages = {4910-4914},
+	title = {Exact {{Density Functional Obtained}} via the {{Levy Constrained Search}}},
+	volume = {9},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.8b02332}}
 
 @article{Mosher_1973,
-	Author = {Mosher, Oren A. and Flicker, Wayne M. and Kuppermann, Aron},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.1680030},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = dec,
-	Number = {12},
-	Pages = {6502-6511},
-	Title = {Electronic Spectroscopy of {\emph{S-trans}} 1,3-butadiene by Electron Impact},
-	Volume = {59},
-	Year = {1973},
+	author = {Mosher, Oren A. and Flicker, Wayne M. and Kuppermann, Aron},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.1680030},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = dec,
+	number = {12},
+	pages = {6502-6511},
+	title = {Electronic Spectroscopy of {\emph{S-trans}} 1,3-butadiene by Electron Impact},
+	volume = {59},
+	year = {1973},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1680030}}
 
 @article{Muller_2001,
-	Author = {M{\"u}ller, Thomas and Lischka, Hans},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Day = {01},
-	Doi = {10.1007/s002140100286},
-	Issn = {1432-2234},
-	Journal = {Theor. Chem. Acc.},
-	Month = {Oct},
-	Number = {5},
-	Pages = {369--378},
-	Title = {Simultaneous Calculation of Rydberg and Valence Excited States of Formaldehyde},
-	Url = {https://doi.org/10.1007/s002140100286},
-	Volume = {106},
-	Year = {2001},
+	author = {M{\"u}ller, Thomas and Lischka, Hans},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	day = {01},
+	doi = {10.1007/s002140100286},
+	issn = {1432-2234},
+	journal = {Theor. Chem. Acc.},
+	month = {Oct},
+	number = {5},
+	pages = {369--378},
+	title = {Simultaneous Calculation of Rydberg and Valence Excited States of Formaldehyde},
+	url = {https://doi.org/10.1007/s002140100286},
+	volume = {106},
+	year = {2001},
 	Bdsk-Url-1 = {https://doi.org/10.1007/s002140100286}}
 
 @article{Nagy_1998,
-	Author = {Nagy, \'A},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/(SICI)1097-461X(1998)69:3<247::AID-QUA4>3.0.CO;2-V},
-	File = {/Users/loos/Zotero/storage/28AU5L4W/Nagy - 1998 - Optimized potential method for ensembles of excite.pdf},
-	Issn = {0020-7608, 1097-461X},
-	Journal = {Int. J. Quantum Chem.},
-	Language = {en},
-	Number = {3},
-	Pages = {247-254},
-	Title = {Optimized Potential Method for Ensembles of Excited States},
-	Volume = {69},
-	Year = {1998},
+	author = {Nagy, \'A},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/(SICI)1097-461X(1998)69:3<247::AID-QUA4>3.0.CO;2-V},
+	file = {/Users/loos/Zotero/storage/28AU5L4W/Nagy - 1998 - Optimized potential method for ensembles of excite.pdf},
+	issn = {0020-7608, 1097-461X},
+	journal = {Int. J. Quantum Chem.},
+	language = {en},
+	number = {3},
+	pages = {247-254},
+	title = {Optimized Potential Method for Ensembles of Excited States},
+	volume = {69},
+	year = {1998},
 	Bdsk-Url-1 = {https://doi.org/10.1002/(SICI)1097-461X(1998)69:3%3C247::AID-QUA4%3E3.0.CO;2-V}}
 
 @article{Nagy_2001,
-	Abstract = {Recently an optimized potential method (OPM) has been derived for ensembles of excited states. Here an alternative OPM is proposed. The ensemble Kohn\textendash{}Sham potential in the generalized version of the Krieger\textendash{}Li\textendash{}Iafrate approximation to the OPM method is obtained.},
-	Author = {Nagy, \'A.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1088/0953-4075/34/12/305},
-	File = {/Users/loos/Zotero/storage/N7CH5INL/Nagy - 2001 - An alternative optimized potential method for ense.pdf},
-	Issn = {0953-4075, 1361-6455},
-	Journal = {J. Phys. B At. Mol. Opt. Phys.},
-	Language = {en},
-	Month = jun,
-	Number = {12},
-	Pages = {2363-2370},
-	Title = {An Alternative Optimized Potential Method for Ensembles of Excited States},
-	Volume = {34},
-	Year = {2001},
+	abstract = {Recently an optimized potential method (OPM) has been derived for ensembles of excited states. Here an alternative OPM is proposed. The ensemble Kohn\textendash{}Sham potential in the generalized version of the Krieger\textendash{}Li\textendash{}Iafrate approximation to the OPM method is obtained.},
+	author = {Nagy, \'A.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1088/0953-4075/34/12/305},
+	file = {/Users/loos/Zotero/storage/N7CH5INL/Nagy - 2001 - An alternative optimized potential method for ense.pdf},
+	issn = {0953-4075, 1361-6455},
+	journal = {J. Phys. B At. Mol. Opt. Phys.},
+	language = {en},
+	month = jun,
+	number = {12},
+	pages = {2363-2370},
+	title = {An Alternative Optimized Potential Method for Ensembles of Excited States},
+	volume = {34},
+	year = {2001},
 	Bdsk-Url-1 = {https://doi.org/10.1088/0953-4075/34/12/305}}
 
 @article{Nagy_2005,
-	Author = {Nagy, \'A. and Liu, S. and Bartolloti, L.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.1871933},
-	File = {/Users/loos/Zotero/storage/J4ZHPWPL/Nagy et al. - 2005 - Generalized density functional theory for degenera.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = apr,
-	Number = {13},
-	Pages = {134107},
-	Title = {Generalized Density Functional Theory for Degenerate States},
-	Volume = {122},
-	Year = {2005},
+	author = {Nagy, \'A. and Liu, S. and Bartolloti, L.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.1871933},
+	file = {/Users/loos/Zotero/storage/J4ZHPWPL/Nagy et al. - 2005 - Generalized density functional theory for degenera.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = apr,
+	number = {13},
+	pages = {134107},
+	title = {Generalized Density Functional Theory for Degenerate States},
+	volume = {122},
+	year = {2005},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1871933}}
 
 @article{Nakano_1993a,
-	Author = {Nakano, Haruyuki},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/0009-2614(93)89016-b},
-	Issn = {0009-2614},
-	Journal = {Chem. Phys. Lett.},
-	Month = {May},
-	Number = {4-6},
-	Pages = {372--378},
-	Publisher = {Elsevier BV},
-	Title = {MCSCF reference quasidegenerate perturbation theory with Epstein---Nesbet partitioning},
-	Url = {http://dx.doi.org/10.1016/0009-2614(93)89016-B},
-	Volume = {207},
-	Year = {1993},
+	author = {Nakano, Haruyuki},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/0009-2614(93)89016-b},
+	issn = {0009-2614},
+	journal = {Chem. Phys. Lett.},
+	month = {May},
+	number = {4-6},
+	pages = {372--378},
+	publisher = {Elsevier BV},
+	title = {MCSCF reference quasidegenerate perturbation theory with Epstein---Nesbet partitioning},
+	url = {http://dx.doi.org/10.1016/0009-2614(93)89016-B},
+	volume = {207},
+	year = {1993},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1016/0009-2614(93)89016-B},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1016/0009-2614(93)89016-b}}
 
 @article{Nakano_1993b,
-	Author = {Nakano, Haruyuki},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.465674},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Nov},
-	Number = {10},
-	Pages = {7983--7992},
-	Publisher = {AIP Publishing},
-	Title = {Quasidegenerate perturbation theory with multiconfigurational self‐consistent‐field reference functions},
-	Url = {http://dx.doi.org/10.1063/1.465674},
-	Volume = {99},
-	Year = {1993},
+	author = {Nakano, Haruyuki},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.465674},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Nov},
+	number = {10},
+	pages = {7983--7992},
+	publisher = {AIP Publishing},
+	title = {Quasidegenerate perturbation theory with multiconfigurational self‐consistent‐field reference functions},
+	url = {http://dx.doi.org/10.1063/1.465674},
+	volume = {99},
+	year = {1993},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.465674}}
 
 @article{Nakayama_1998,
-	Author = {Nakayama, Kenichi and Nakano, Haruyuki and Hirao, Kimihiko},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/(SICI)1097-461X(1998)66:2<157::AID-QUA7>3.0.CO;2-U},
-	Issn = {0020-7608, 1097-461X},
-	Journal = {Int. J. Quantum Chem.},
-	Language = {en},
-	Number = {2},
-	Pages = {157-175},
-	Shorttitle = {Theoretical Study of The ?},
-	Title = {Theoretical Study of the ???* Excited States of Linear Polyenes: {{The}} Energy Gap between {{11Bu}}+ and {{21Ag}}? States and Their Character},
-	Volume = {66},
-	Year = {1998},
+	author = {Nakayama, Kenichi and Nakano, Haruyuki and Hirao, Kimihiko},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/(SICI)1097-461X(1998)66:2<157::AID-QUA7>3.0.CO;2-U},
+	issn = {0020-7608, 1097-461X},
+	journal = {Int. J. Quantum Chem.},
+	language = {en},
+	number = {2},
+	pages = {157-175},
+	shorttitle = {Theoretical Study of The ?},
+	title = {Theoretical Study of the ???* Excited States of Linear Polyenes: {{The}} Energy Gap between {{11Bu}}+ and {{21Ag}}? States and Their Character},
+	volume = {66},
+	year = {1998},
 	Bdsk-Url-1 = {https://doi.org/10.1002/(SICI)1097-461X(1998)66:2%3C157::AID-QUA7%3E3.0.CO;2-U}}
 
 @article{Nemec_2010,
-	Author = {Nemec, Norbert and Towler, Michael D. and Needs, R. J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.3288054},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Jan},
-	Number = {3},
-	Pages = {034111},
-	Publisher = {AIP Publishing},
-	Title = {Benchmark all-electron ab initio quantum Monte Carlo calculations for small molecules},
-	Url = {http://dx.doi.org/10.1063/1.3288054},
-	Volume = {132},
-	Year = {2010},
+	author = {Nemec, Norbert and Towler, Michael D. and Needs, R. J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.3288054},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Jan},
+	number = {3},
+	pages = {034111},
+	publisher = {AIP Publishing},
+	title = {Benchmark all-electron ab initio quantum Monte Carlo calculations for small molecules},
+	url = {http://dx.doi.org/10.1063/1.3288054},
+	volume = {132},
+	year = {2010},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.3288054}}
 
 @article{Nieto_2000,
-	Author = {Michael Martin Nieto},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Phys. Rev. A},
-	Pages = {034901},
-	Title = {Electrons above a helium surface and the one-dimensional Rydberg atom},
-	Volume = {61},
-	Year = {2000}}
+	author = {Michael Martin Nieto},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Phys. Rev. A},
+	pages = {034901},
+	title = {Electrons above a helium surface and the one-dimensional Rydberg atom},
+	volume = {61},
+	year = {2000}}
 
 @book{NISTbook,
-	Address = {New York},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Editor = {F. W. J. Olver and D. W. Lozier and R. F. Boisvert and C. W. Clark},
-	Keywords = {maths},
-	Publisher = {Cambridge University Press},
-	Title = {NIST Handbook of Mathematical Functions},
-	Year = {2010}}
+	address = {New York},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	editor = {F. W. J. Olver and D. W. Lozier and R. F. Boisvert and C. W. Clark},
+	keywords = {maths},
+	publisher = {Cambridge University Press},
+	title = {NIST Handbook of Mathematical Functions},
+	year = {2010}}
 
 @article{Noga_1987,
-	Author = {Jozef Noga and Rodney J. Bartlett},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.452353},
-	Journal = {J. Chem. Phys.},
-	Number = {12},
-	Pages = {7041--7050},
-	Title = {The Full CCSDT Model for Molecular Electronic Structure},
-	Url = {https://doi.org/10.1063/1.452353},
-	Volume = {86},
-	Year = {1987},
+	author = {Jozef Noga and Rodney J. Bartlett},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.452353},
+	journal = {J. Chem. Phys.},
+	number = {12},
+	pages = {7041--7050},
+	title = {The Full CCSDT Model for Molecular Electronic Structure},
+	url = {https://doi.org/10.1063/1.452353},
+	volume = {86},
+	year = {1987},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.452353}}
 
 @article{Nooijen_1999,
-	Author = {Nooijen, Marcel},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/S1386-1425(98)00261-3},
-	Issn = {13861425},
-	Journal = {Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy},
-	Language = {en},
-	Month = mar,
-	Number = {3},
-	Pages = {539-559},
-	Title = {Similarity Transformed Equation of Motion Coupled-Cluster Study of Excited States of Selected Azabenzenes},
-	Volume = {55},
-	Year = {1999},
+	author = {Nooijen, Marcel},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/S1386-1425(98)00261-3},
+	issn = {13861425},
+	journal = {Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy},
+	language = {en},
+	month = mar,
+	number = {3},
+	pages = {539-559},
+	title = {Similarity Transformed Equation of Motion Coupled-Cluster Study of Excited States of Selected Azabenzenes},
+	volume = {55},
+	year = {1999},
 	Bdsk-Url-1 = {https://doi.org/10.1016/S1386-1425(98)00261-3}}
 
 @article{Nooijen_2000,
-	Author = {Nooijen, Marcel},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/jp993983z},
-	Issn = {1089-5639, 1520-5215},
-	Journal = {J. Phys. Chem. A},
-	Language = {en},
-	Month = may,
-	Number = {19},
-	Pages = {4553-4561},
-	Shorttitle = {Electronic {{Excitation Spectrum}} of {\emph{s}} -{{Tetrazine}}},
-	Title = {Electronic {{Excitation Spectrum}} of {\emph{s}} -{{Tetrazine}}: {{An Extended}}-{{STEOM}}-{{CCSD Study}}},
-	Volume = {104},
-	Year = {2000},
+	author = {Nooijen, Marcel},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/jp993983z},
+	issn = {1089-5639, 1520-5215},
+	journal = {J. Phys. Chem. A},
+	language = {en},
+	month = may,
+	number = {19},
+	pages = {4553-4561},
+	shorttitle = {Electronic {{Excitation Spectrum}} of {\emph{s}} -{{Tetrazine}}},
+	title = {Electronic {{Excitation Spectrum}} of {\emph{s}} -{{Tetrazine}}: {{An Extended}}-{{STEOM}}-{{CCSD Study}}},
+	volume = {104},
+	year = {2000},
 	Bdsk-Url-1 = {https://doi.org/10.1021/jp993983z}}
 
 @article{Noro_2000,
-	Author = {Noro, Takeshi and Sekiya, Masahiro and Koga, Toshikatsu and Matsuyama, Hisashi},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1007/s002140000126},
-	Issn = {1432-2234},
-	Journal = {Theor. Chem. Acc.},
-	Month = {Jun},
-	Number = {2},
-	Pages = {146--152},
-	Publisher = {Springer Nature},
-	Title = {Valence and correlated basis sets for the first-row transition atoms from Sc to Zn},
-	Url = {http://dx.doi.org/10.1007/s002140000126},
-	Volume = {104},
-	Year = {2000},
+	author = {Noro, Takeshi and Sekiya, Masahiro and Koga, Toshikatsu and Matsuyama, Hisashi},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1007/s002140000126},
+	issn = {1432-2234},
+	journal = {Theor. Chem. Acc.},
+	month = {Jun},
+	number = {2},
+	pages = {146--152},
+	publisher = {Springer Nature},
+	title = {Valence and correlated basis sets for the first-row transition atoms from Sc to Zn},
+	url = {http://dx.doi.org/10.1007/s002140000126},
+	volume = {104},
+	year = {2000},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1007/s002140000126}}
 
 @article{Ohtsuka_2017,
-	Author = {Ohtsuka, Yuhki and Hasegawa, Jun-ya},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4993214},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Jul},
-	Number = {3},
-	Pages = {034102},
-	Publisher = {AIP Publishing},
-	Title = {Selected configuration interaction method using sampled first-order corrections to wave functions},
-	Url = {http://dx.doi.org/10.1063/1.4993214},
-	Volume = {147},
-	Year = {2017},
+	author = {Ohtsuka, Yuhki and Hasegawa, Jun-ya},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4993214},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Jul},
+	number = {3},
+	pages = {034102},
+	publisher = {AIP Publishing},
+	title = {Selected configuration interaction method using sampled first-order corrections to wave functions},
+	url = {http://dx.doi.org/10.1063/1.4993214},
+	volume = {147},
+	year = {2017},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4993214}}
 
 @article{Oliveira_1988,
-	Author = {Oliveira, L. N. and Gross, E. K. U. and Kohn, W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.37.2821},
-	File = {/Users/loos/Zotero/storage/2HMU9WUU/Oliveira et al. - 1988 - Density-functional theory for ensembles of fractio.pdf},
-	Issn = {0556-2791},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = apr,
-	Number = {8},
-	Pages = {2821-2833},
-	Title = {Density-Functional Theory for Ensembles of Fractionally Occupied States. {{II}}. {{Application}} to the {{He}} Atom},
-	Volume = {37},
-	Year = {1988},
+	author = {Oliveira, L. N. and Gross, E. K. U. and Kohn, W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.37.2821},
+	file = {/Users/loos/Zotero/storage/2HMU9WUU/Oliveira et al. - 1988 - Density-functional theory for ensembles of fractio.pdf},
+	issn = {0556-2791},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = apr,
+	number = {8},
+	pages = {2821-2833},
+	title = {Density-Functional Theory for Ensembles of Fractionally Occupied States. {{II}}. {{Application}} to the {{He}} Atom},
+	volume = {37},
+	year = {1988},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.37.2821}}
 
 @article{Oliveira_1988a,
-	Author = {Oliveira, L. N. and Gross, E. K. U. and Kohn, W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.37.2821},
-	File = {/Users/loos/Zotero/storage/FCL4XIJQ/Oliveira et al. - 1988 - Density-functional theory for ensembles of fractio.pdf},
-	Issn = {0556-2791},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = apr,
-	Number = {8},
-	Pages = {2821-2833},
-	Title = {Density-Functional Theory for Ensembles of Fractionally Occupied States. {{II}}. {{Application}} to the {{He}} Atom},
-	Volume = {37},
-	Year = {1988},
+	author = {Oliveira, L. N. and Gross, E. K. U. and Kohn, W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.37.2821},
+	file = {/Users/loos/Zotero/storage/FCL4XIJQ/Oliveira et al. - 1988 - Density-functional theory for ensembles of fractio.pdf},
+	issn = {0556-2791},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = apr,
+	number = {8},
+	pages = {2821-2833},
+	title = {Density-Functional Theory for Ensembles of Fractionally Occupied States. {{II}}. {{Application}} to the {{He}} Atom},
+	volume = {37},
+	year = {1988},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.37.2821}}
 
 @book{Olivucci_2010,
-	Address = {Amsterdam; Boston (Mass.); Paris},
-	Author = {Olivucci, Massimo},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Isbn = {978-0-08-045519-8},
-	Note = {OCLC: 800555856},
-	Publisher = {{Elsevier Science}},
-	Title = {Computational Photochemistry},
-	Year = {2010}}
+	address = {Amsterdam; Boston (Mass.); Paris},
+	author = {Olivucci, Massimo},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	isbn = {978-0-08-045519-8},
+	note = {OCLC: 800555856},
+	publisher = {{Elsevier Science}},
+	title = {Computational Photochemistry},
+	year = {2010}}
 
 @article{Ostojic_2001,
-	Author = {Ostoji\'c, Bojana and Domcke, Wolfgang},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/S0301-0104(01)00373-1},
-	Issn = {03010104},
-	Journal = {Chem. Phys.},
-	Language = {en},
-	Month = jul,
-	Number = {1-3},
-	Pages = {1-10},
-	Title = {Ab Initio Investigation of the Potential Energy Surfaces Involved in the Photophysics of S-Trans-1,3-Butadiene},
-	Volume = {269},
-	Year = {2001},
+	author = {Ostoji\'c, Bojana and Domcke, Wolfgang},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/S0301-0104(01)00373-1},
+	issn = {03010104},
+	journal = {Chem. Phys.},
+	language = {en},
+	month = jul,
+	number = {1-3},
+	pages = {1-10},
+	title = {Ab Initio Investigation of the Potential Energy Surfaces Involved in the Photophysics of S-Trans-1,3-Butadiene},
+	volume = {269},
+	year = {2001},
 	Bdsk-Url-1 = {https://doi.org/10.1016/S0301-0104(01)00373-1}}
 
 @article{Palczewski_2006,
-	Author = {Palczewski, Krzysztof},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1146/annurev.biochem.75.103004.142743},
-	Issn = {0066-4154, 1545-4509},
-	Journal = {Ann. Rev. Biochem.},
-	Language = {en},
-	Month = jun,
-	Number = {1},
-	Pages = {743-767},
-	Title = {G {{Protein}}\textendash{{Coupled Receptor Rhodopsin}}},
-	Volume = {75},
-	Year = {2006},
+	author = {Palczewski, Krzysztof},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1146/annurev.biochem.75.103004.142743},
+	issn = {0066-4154, 1545-4509},
+	journal = {Ann. Rev. Biochem.},
+	language = {en},
+	month = jun,
+	number = {1},
+	pages = {743-767},
+	title = {G {{Protein}}\textendash{{Coupled Receptor Rhodopsin}}},
+	volume = {75},
+	year = {2006},
 	Bdsk-Url-1 = {https://doi.org/10.1146/annurev.biochem.75.103004.142743}}
 
 @article{Palenikova_2008,
-	Author = {Jana P{\'a}len{\'\i}kov{\'a} and Michal Kraus and Pavel Neogr{\'a}dy and Vladimir Kell{\"o} and Miroslav Urban},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1080/00268970802454786},
-	Journal = {Mol. Phys.},
-	Number = {20},
-	Pages = {2333--2344},
-	Publisher = {Taylor & Francis},
-	Title = {Theoretical Study of Molecular Properties of Low-Lying Electronic Excited States of H$_2$O and H$_2$S},
-	Url = {https://doi.org/10.1080/00268970802454786},
-	Volume = {106},
-	Year = {2008},
+	author = {Jana P{\'a}len{\'\i}kov{\'a} and Michal Kraus and Pavel Neogr{\'a}dy and Vladimir Kell{\"o} and Miroslav Urban},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1080/00268970802454786},
+	journal = {Mol. Phys.},
+	number = {20},
+	pages = {2333--2344},
+	publisher = {Taylor & Francis},
+	title = {Theoretical Study of Molecular Properties of Low-Lying Electronic Excited States of H$_2$O and H$_2$S},
+	url = {https://doi.org/10.1080/00268970802454786},
+	volume = {106},
+	year = {2008},
 	Bdsk-Url-1 = {https://doi.org/10.1080/00268970802454786}}
 
 @article{Palmer_1989,
-	Author = {Palmer, Michael H. and Walker, Isobel C.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/0301-0104(89)80104-1},
-	Issn = {03010104},
-	Journal = {Chem. Phys.},
-	Language = {en},
-	Month = may,
-	Number = {1},
-	Pages = {113-121},
-	Title = {The Electronic States of Benzene and the Azines. {{I}}. {{The}} Parent Compound Benzene. {{Correlation}} of Vacuum {{UV}} and Electron Scattering Data with Ab Initio {{CI}} Studies},
-	Volume = {133},
-	Year = {1989},
+	author = {Palmer, Michael H. and Walker, Isobel C.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/0301-0104(89)80104-1},
+	issn = {03010104},
+	journal = {Chem. Phys.},
+	language = {en},
+	month = may,
+	number = {1},
+	pages = {113-121},
+	title = {The Electronic States of Benzene and the Azines. {{I}}. {{The}} Parent Compound Benzene. {{Correlation}} of Vacuum {{UV}} and Electron Scattering Data with Ab Initio {{CI}} Studies},
+	volume = {133},
+	year = {1989},
 	Bdsk-Url-1 = {https://doi.org/10.1016/0301-0104(89)80104-1}}
 
 @article{Palmer_1991,
-	Author = {Palmer, Michael H. and Walker, Isobel C.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/0301-0104(91)87143-J},
-	Issn = {03010104},
-	Journal = {Chem. Phys.},
-	Language = {en},
-	Month = nov,
-	Number = {1-2},
-	Pages = {187-200},
-	Title = {The Electronic States of the Azines. {{V}}. {{Pyridazine}}, Studied by {{VUV}} Absorption, near Threshold Electron Energy-Loss Spectroscopy and Ab Initio Multi-Reference Configuration Interaction Calculations},
-	Volume = {157},
-	Year = {1991},
+	author = {Palmer, Michael H. and Walker, Isobel C.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/0301-0104(91)87143-J},
+	issn = {03010104},
+	journal = {Chem. Phys.},
+	language = {en},
+	month = nov,
+	number = {1-2},
+	pages = {187-200},
+	title = {The Electronic States of the Azines. {{V}}. {{Pyridazine}}, Studied by {{VUV}} Absorption, near Threshold Electron Energy-Loss Spectroscopy and Ab Initio Multi-Reference Configuration Interaction Calculations},
+	volume = {157},
+	year = {1991},
 	Bdsk-Url-1 = {https://doi.org/10.1016/0301-0104(91)87143-J}}
 
 @article{Palmer_1997,
-	Author = {Palmer, Michael H. and McNab, Hamish and Reed, David and Pollacchi, Anne and Walker, Isobel C. and Guest, Martyn F. and Siggel, Michele R.F.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/S0301-0104(96)00330-8},
-	Issn = {03010104},
-	Journal = {Chem. Phys.},
-	Language = {en},
-	Month = jan,
-	Number = {2-3},
-	Pages = {191-211},
-	Title = {The Molecular and Electronic States of 1,2,4,5-Tetrazine Studied by {{VUV}} Absorption, near-Threshold Electron Energy-Loss Spectroscopy and Ab Initio Multi-Reference Configuration Interaction Studies},
-	Volume = {214},
-	Year = {1997},
+	author = {Palmer, Michael H. and McNab, Hamish and Reed, David and Pollacchi, Anne and Walker, Isobel C. and Guest, Martyn F. and Siggel, Michele R.F.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/S0301-0104(96)00330-8},
+	issn = {03010104},
+	journal = {Chem. Phys.},
+	language = {en},
+	month = jan,
+	number = {2-3},
+	pages = {191-211},
+	title = {The Molecular and Electronic States of 1,2,4,5-Tetrazine Studied by {{VUV}} Absorption, near-Threshold Electron Energy-Loss Spectroscopy and Ab Initio Multi-Reference Configuration Interaction Studies},
+	volume = {214},
+	year = {1997},
 	Bdsk-Url-1 = {https://doi.org/10.1016/S0301-0104(96)00330-8}}
 
 @book{ParrBook,
-	Address = {Clarendon Press},
-	Author = {R. G. Parr and W. Yang},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-02-05 20:57:32 +0100},
-	Keywords = {dft; qmech},
-	Publisher = {Oxford},
-	Title = {Density-Functional Theory of Atoms and Molecules},
-	Year = {1989}}
+	address = {Clarendon Press},
+	author = {R. G. Parr and W. Yang},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-02-05 20:57:32 +0100},
+	keywords = {dft; qmech},
+	publisher = {Oxford},
+	title = {Density-Functional Theory of Atoms and Molecules},
+	year = {1989}}
 
 @article{Pastorczak_2013,
-	Author = {Pastorczak, Ewa and Gidopoulos, Nikitas I. and Pernal, Katarzyna},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.87.},
-	File = {/Users/loos/Zotero/storage/2VX2RRKC/Pastorczak et al. - 2013 - Calculation of electronic excited states of molecu.pdf},
-	Issn = {1050-2947, 1094-1622},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = jun,
-	Number = {6},
-	Pages = {062501},
-	Title = {Calculation of Electronic Excited States of Molecules Using the {{Helmholtz}} Free-Energy Minimum Principle},
-	Volume = {87},
-	Year = {2013},
+	author = {Pastorczak, Ewa and Gidopoulos, Nikitas I. and Pernal, Katarzyna},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.87.},
+	file = {/Users/loos/Zotero/storage/2VX2RRKC/Pastorczak et al. - 2013 - Calculation of electronic excited states of molecu.pdf},
+	issn = {1050-2947, 1094-1622},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = jun,
+	number = {6},
+	pages = {062501},
+	title = {Calculation of Electronic Excited States of Molecules Using the {{Helmholtz}} Free-Energy Minimum Principle},
+	volume = {87},
+	year = {2013},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.87.062501}}
 
 @article{Pastorczak_2014,
-	Author = {Pastorczak, Ewa and Pernal, Katarzyna},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4866998},
-	File = {/Users/loos/Zotero/storage/9ULW7BMS/Pastorczak and Pernal - 2014 - Ensemble density variational methods with self- an.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = may,
-	Number = {18},
-	Pages = {18A514},
-	Title = {Ensemble Density Variational Methods with Self- and Ghost-Interaction-Corrected Functionals},
-	Volume = {140},
-	Year = {2014},
+	author = {Pastorczak, Ewa and Pernal, Katarzyna},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4866998},
+	file = {/Users/loos/Zotero/storage/9ULW7BMS/Pastorczak and Pernal - 2014 - Ensemble density variational methods with self- an.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = may,
+	number = {18},
+	pages = {18A514},
+	title = {Ensemble Density Variational Methods with Self- and Ghost-Interaction-Corrected Functionals},
+	volume = {140},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4866998}}
 
 @article{Paterson_2006,
-	Author = {Paterson, Martin J. and Christiansen, Ove and Paw\l{}owski, Filip and J\o{}rgensen, Poul and H\"attig, Christof and Helgaker, Trygve and Sa\l{}ek, Pawe\l},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.2163874},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = feb,
-	Number = {5},
-	Pages = {054322},
-	Title = {Benchmarking Two-Photon Absorption with {{CC3}} Quadratic Response Theory, and Comparison with Density-Functional Response Theory},
-	Volume = {124},
-	Year = {2006},
+	author = {Paterson, Martin J. and Christiansen, Ove and Paw\l{}owski, Filip and J\o{}rgensen, Poul and H\"attig, Christof and Helgaker, Trygve and Sa\l{}ek, Pawe\l},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.2163874},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = feb,
+	number = {5},
+	pages = {054322},
+	title = {Benchmarking Two-Photon Absorption with {{CC3}} Quadratic Response Theory, and Comparison with Density-Functional Response Theory},
+	volume = {124},
+	year = {2006},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.2163874}}
 
 @article{Patil_2001,
-	Author = {S. H. Patil},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Phys. Rev. A},
-	Pages = {064902},
-	Title = {Electron near a helium liquid surface},
-	Volume = {64},
-	Year = {2001}}
+	author = {S. H. Patil},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Phys. Rev. A},
+	pages = {064902},
+	title = {Electron near a helium liquid surface},
+	volume = {64},
+	year = {2001}}
 
 @article{Peach_2008,
-	Author = {Peach, M. J. G. and Benfield, P. and Helgaker, T. and Tozer, D. J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {J. Chem. Phys.},
-	Pages = {044118},
-	Title = {Excitation Energies in Density Functional Theory: an Evaluation and a Diagnostic Test},
-	Volume = 128,
-	Year = 2008}
+	author = {Peach, M. J. G. and Benfield, P. and Helgaker, T. and Tozer, D. J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {J. Chem. Phys.},
+	pages = {044118},
+	title = {Excitation Energies in Density Functional Theory: an Evaluation and a Diagnostic Test},
+	volume = 128,
+	year = 2008}
 
 @article{Per_2017,
-	Author = {Per, Manolo C. and Cleland, Deidre M.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4981527},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Apr},
-	Number = {16},
-	Pages = {164101},
-	Publisher = {AIP Publishing},
-	Title = {Energy-based truncation of multi-determinant wavefunctions in quantum Monte Carlo},
-	Url = {http://dx.doi.org/10.1063/1.4981527},
-	Volume = {146},
-	Year = {2017},
+	author = {Per, Manolo C. and Cleland, Deidre M.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4981527},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Apr},
+	number = {16},
+	pages = {164101},
+	publisher = {AIP Publishing},
+	title = {Energy-based truncation of multi-determinant wavefunctions in quantum Monte Carlo},
+	url = {http://dx.doi.org/10.1063/1.4981527},
+	volume = {146},
+	year = {2017},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4981527}}
 
 @article{Perarnau-Llobet_2015,
-	Author = {{Perarnau-Llobet}, Mart\'i and Hovhannisyan, Karen V. and Huber, Marcus and Skrzypczyk, Paul and Brunner, Nicolas and Ac\'in, Antonio},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevX.5.041011},
-	File = {/Users/loos/Zotero/storage/QBAJ3LUY/Perarnau-Llobet et al. - 2015 - Extractable Work from Correlations.pdf},
-	Issn = {2160-3308},
-	Journal = {Phys. Rev. X},
-	Language = {en},
-	Month = oct,
-	Number = {4},
-	Title = {Extractable {{Work}} from {{Correlations}}},
-	Volume = {5},
-	Year = {2015},
+	author = {{Perarnau-Llobet}, Mart\'i and Hovhannisyan, Karen V. and Huber, Marcus and Skrzypczyk, Paul and Brunner, Nicolas and Ac\'in, Antonio},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevX.5.041011},
+	file = {/Users/loos/Zotero/storage/QBAJ3LUY/Perarnau-Llobet et al. - 2015 - Extractable Work from Correlations.pdf},
+	issn = {2160-3308},
+	journal = {Phys. Rev. X},
+	language = {en},
+	month = oct,
+	number = {4},
+	title = {Extractable {{Work}} from {{Correlations}}},
+	volume = {5},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevX.5.041011}}
 
 @article{Perdew_1985,
-	Author = {Perdew, John P. and Levy, Mel},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevB.31.6264},
-	File = {/Users/loos/Zotero/storage/4MC7Q9WE/Perdew and Levy - 1985 - Extrema of the density functional for the energy .pdf},
-	Issn = {0163-1829},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = may,
-	Number = {10},
-	Pages = {6264-6272},
-	Shorttitle = {Extrema of the Density Functional for the Energy},
-	Title = {Extrema of the Density Functional for the Energy: {{Excited}} States from the Ground-State Theory},
-	Volume = {31},
-	Year = {1985},
+	author = {Perdew, John P. and Levy, Mel},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevB.31.6264},
+	file = {/Users/loos/Zotero/storage/4MC7Q9WE/Perdew and Levy - 1985 - Extrema of the density functional for the energy .pdf},
+	issn = {0163-1829},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = may,
+	number = {10},
+	pages = {6264-6272},
+	shorttitle = {Extrema of the Density Functional for the Energy},
+	title = {Extrema of the Density Functional for the Energy: {{Excited}} States from the Ground-State Theory},
+	volume = {31},
+	year = {1985},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.31.6264}}
 
 @article{Petz_2011,
-	Author = {Petz, Ren{\'e} and L{\"u}chow, Arne},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/cphc.201000942},
-	Issn = {1439-4235},
-	Journal = {ChemPhysChem},
-	Month = {Mar},
-	Number = {10},
-	Pages = {2031--2034},
-	Publisher = {Wiley-Blackwell},
-	Title = {Energetics of Diatomic Transition Metal Sulfides ScS to FeS with Diffusion Quantum Monte Carlo},
-	Url = {http://dx.doi.org/10.1002/cphc.201000942},
-	Volume = {12},
-	Year = {2011},
+	author = {Petz, Ren{\'e} and L{\"u}chow, Arne},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/cphc.201000942},
+	issn = {1439-4235},
+	journal = {ChemPhysChem},
+	month = {Mar},
+	number = {10},
+	pages = {2031--2034},
+	publisher = {Wiley-Blackwell},
+	title = {Energetics of Diatomic Transition Metal Sulfides ScS to FeS with Diffusion Quantum Monte Carlo},
+	url = {http://dx.doi.org/10.1002/cphc.201000942},
+	volume = {12},
+	year = {2011},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1002/cphc.201000942}}
 
 @article{Peyerimhoff_1970,
-	Author = {Peyerimhoff, Sigrid D. and Buenker, Robert J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1007/BF00527373},
-	Issn = {0040-5744, 1432-2234},
-	Journal = {Theor. Chim. Acta},
-	Language = {en},
-	Number = {1},
-	Pages = {1-19},
-	Title = {Comparison of the Molecular Structure and Spectra of Benzene and Borazine},
-	Volume = {19},
-	Year = {1970},
+	author = {Peyerimhoff, Sigrid D. and Buenker, Robert J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1007/BF00527373},
+	issn = {0040-5744, 1432-2234},
+	journal = {Theor. Chim. Acta},
+	language = {en},
+	number = {1},
+	pages = {1-19},
+	title = {Comparison of the Molecular Structure and Spectra of Benzene and Borazine},
+	volume = {19},
+	year = {1970},
 	Bdsk-Url-1 = {https://doi.org/10.1007/BF00527373}}
 
 @article{Pincellt_1971,
-	Author = {Pincellt, U. and Cadioli, B. and David, D.J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/0022-2860(71)85017-2},
-	Issn = {00222860},
-	Journal = {J. Mol. Struct.},
-	Language = {en},
-	Month = jul,
-	Number = {1-2},
-	Pages = {173-176},
-	Title = {A Theoretical Study of the Electronic Structure and Conformation of Glyoxal},
-	Volume = {9},
-	Year = {1971},
+	author = {Pincellt, U. and Cadioli, B. and David, D.J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/0022-2860(71)85017-2},
+	issn = {00222860},
+	journal = {J. Mol. Struct.},
+	language = {en},
+	month = jul,
+	number = {1-2},
+	pages = {173-176},
+	title = {A Theoretical Study of the Electronic Structure and Conformation of Glyoxal},
+	volume = {9},
+	year = {1971},
 	Bdsk-Url-1 = {https://doi.org/10.1016/0022-2860(71)85017-2}}
 
 @article{Pittalis_2006,
-	Author = {Pittalis, S. and Kurth, S. and Gross, E. K. U.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.2338038},
-	File = {/Users/loos/Zotero/storage/P4WGHT2E/Pittalis et al. - 2006 - On the degeneracy of atomic states within exact-ex.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = aug,
-	Number = {8},
-	Pages = {084105},
-	Title = {On the Degeneracy of Atomic States within Exact-Exchange (Spin-) Density Functional Theory},
-	Volume = {125},
-	Year = {2006},
+	author = {Pittalis, S. and Kurth, S. and Gross, E. K. U.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.2338038},
+	file = {/Users/loos/Zotero/storage/P4WGHT2E/Pittalis et al. - 2006 - On the degeneracy of atomic states within exact-ex.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = aug,
+	number = {8},
+	pages = {084105},
+	title = {On the Degeneracy of Atomic States within Exact-Exchange (Spin-) Density Functional Theory},
+	volume = {125},
+	year = {2006},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.2338038}}
 
 @article{Pittalis_2006a,
-	Author = {Pittalis, S. and Kurth, S. and Gross, E. K. U.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.2338038},
-	File = {/Users/loos/Zotero/storage/39BBXFZZ/Pittalis et al. - 2006 - On the degeneracy of atomic states within exact-ex.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = aug,
-	Number = {8},
-	Pages = {084105},
-	Title = {On the Degeneracy of Atomic States within Exact-Exchange (Spin-) Density Functional Theory},
-	Volume = {125},
-	Year = {2006},
+	author = {Pittalis, S. and Kurth, S. and Gross, E. K. U.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.2338038},
+	file = {/Users/loos/Zotero/storage/39BBXFZZ/Pittalis et al. - 2006 - On the degeneracy of atomic states within exact-ex.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = aug,
+	number = {8},
+	pages = {084105},
+	title = {On the Degeneracy of Atomic States within Exact-Exchange (Spin-) Density Functional Theory},
+	volume = {125},
+	year = {2006},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.2338038}}
 
 @article{Pittalis_2006b,
-	Author = {Pittalis, S. and Kurth, S. and Gross, E. K. U.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.2338038},
-	File = {/Users/loos/Zotero/storage/GFM8R2WS/Pittalis et al. - 2006 - On the degeneracy of atomic states within exact-ex.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = aug,
-	Number = {8},
-	Pages = {084105},
-	Title = {On the Degeneracy of Atomic States within Exact-Exchange (Spin-) Density Functional Theory},
-	Volume = {125},
-	Year = {2006},
+	author = {Pittalis, S. and Kurth, S. and Gross, E. K. U.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.2338038},
+	file = {/Users/loos/Zotero/storage/GFM8R2WS/Pittalis et al. - 2006 - On the degeneracy of atomic states within exact-ex.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = aug,
+	number = {8},
+	pages = {084105},
+	title = {On the Degeneracy of Atomic States within Exact-Exchange (Spin-) Density Functional Theory},
+	volume = {125},
+	year = {2006},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.2338038}}
 
 @article{Porter_2001,
-	Author = {Porter, A. R. and Towler, M. D. and Needs, R. J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevB.64.035320},
-	File = {/Users/loos/Zotero/storage/JZ25TY65/Porter et al. - 2001 - Excitons in small hydrogenated Si clusters.pdf},
-	Issn = {0163-1829, 1095-3795},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = jun,
-	Number = {3},
-	Pages = {035320},
-	Title = {Excitons in Small Hydrogenated {{Si}} Clusters},
-	Volume = {64},
-	Year = {2001},
+	author = {Porter, A. R. and Towler, M. D. and Needs, R. J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevB.64.035320},
+	file = {/Users/loos/Zotero/storage/JZ25TY65/Porter et al. - 2001 - Excitons in small hydrogenated Si clusters.pdf},
+	issn = {0163-1829, 1095-3795},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = jun,
+	number = {3},
+	pages = {035320},
+	title = {Excitons in Small Hydrogenated {{Si}} Clusters},
+	volume = {64},
+	year = {2001},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.64.035320}}
 
 @article{Porter_2001a,
-	Author = {Porter, A. R. and Al-Mushadani, O. K. and Towler, M. D. and Needs, R. J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.1342765},
-	File = {/Users/loos/Zotero/storage/GWNRMT2I/Porter et al. - 2001 - Electronic excited-state wave functions for quantu.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = may,
-	Number = {18},
-	Pages = {7795-7804},
-	Shorttitle = {Electronic Excited-State Wave Functions for Quantum {{Monte Carlo}}},
-	Title = {Electronic Excited-State Wave Functions for Quantum {{Monte Carlo}}: {{Application}} to Silane and Methane},
-	Volume = {114},
-	Year = {2001},
+	author = {Porter, A. R. and Al-Mushadani, O. K. and Towler, M. D. and Needs, R. J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.1342765},
+	file = {/Users/loos/Zotero/storage/GWNRMT2I/Porter et al. - 2001 - Electronic excited-state wave functions for quantu.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = may,
+	number = {18},
+	pages = {7795-7804},
+	shorttitle = {Electronic Excited-State Wave Functions for Quantum {{Monte Carlo}}},
+	title = {Electronic Excited-State Wave Functions for Quantum {{Monte Carlo}}: {{Application}} to Silane and Methane},
+	volume = {114},
+	year = {2001},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1342765}}
 
 @article{Povill_1992,
-	Author = {Povill, A. and Rubio, J. and Illas, F.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	File = {BF01113255.pdf:/home/scemama/Dropbox/Zotero/storage/TH3IVJUP/BF01113255.pdf:application/pdf;Snapshot:/home/scemama/Dropbox/Zotero/storage/M8KP3TSQ/BF01113255.html:text/html},
-	Journal = {Theor. Chem. Acc.},
-	Number = {3},
-	Pages = {229--238},
-	Title = {Treating large intermediate spaces in the {CIPSI} method through a direct selected {CI} algorithm},
-	Volume = {82},
-	Year = {1992}}
+	author = {Povill, A. and Rubio, J. and Illas, F.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	file = {BF01113255.pdf:/home/scemama/Dropbox/Zotero/storage/TH3IVJUP/BF01113255.pdf:application/pdf;Snapshot:/home/scemama/Dropbox/Zotero/storage/M8KP3TSQ/BF01113255.html:text/html},
+	journal = {Theor. Chem. Acc.},
+	number = {3},
+	pages = {229--238},
+	title = {Treating large intermediate spaces in the {CIPSI} method through a direct selected {CI} algorithm},
+	volume = {82},
+	year = {1992}}
 
 @article{Preat_2007a,
-	Author = {Preat, Julien and Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier and Jacquemin, Denis and Perp\`ete, Eric A.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/qua.21182},
-	File = {/Users/loos/Zotero/storage/D5F3ED8Z/4.pdf},
-	Issn = {00207608, 1097461X},
-	Journal = {Int. J. Quantum Chem.},
-	Language = {en},
-	Number = {3},
-	Pages = {574-585},
-	Shorttitle = {{{DFT}} and {{TD}}-{{DFT}} Investigation of {{IR}} and {{UV}} Spectra of Solvated Molecules},
-	Title = {{{DFT}} and {{TD}}-{{DFT}} Investigation of {{IR}} and {{UV}} Spectra of Solvated Molecules: {{Comparison}} of Two {{SCRF}} Continuum Models},
-	Volume = {107},
-	Year = {2007},
+	author = {Preat, Julien and Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier and Jacquemin, Denis and Perp\`ete, Eric A.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/qua.21182},
+	file = {/Users/loos/Zotero/storage/D5F3ED8Z/4.pdf},
+	issn = {00207608, 1097461X},
+	journal = {Int. J. Quantum Chem.},
+	language = {en},
+	number = {3},
+	pages = {574-585},
+	shorttitle = {{{DFT}} and {{TD}}-{{DFT}} Investigation of {{IR}} and {{UV}} Spectra of Solvated Molecules},
+	title = {{{DFT}} and {{TD}}-{{DFT}} Investigation of {{IR}} and {{UV}} Spectra of Solvated Molecules: {{Comparison}} of Two {{SCRF}} Continuum Models},
+	volume = {107},
+	year = {2007},
 	Bdsk-Url-1 = {https://doi.org/10.1002/qua.21182}}
 
 @article{Pribram-Jones_2014,
-	Author = {{Pribram-Jones}, Aurora and Yang, Zeng-hui and Trail, John R. and Burke, Kieron and Needs, Richard J. and Ullrich, Carsten A.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4872255},
-	File = {/Users/loos/Zotero/storage/D8SVJKXC/Pribram-Jones et al. - 2014 - Excitations and benchmark ensemble density functio.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = may,
-	Number = {18},
-	Pages = {18A541},
-	Title = {Excitations and Benchmark Ensemble Density Functional Theory for Two Electrons},
-	Volume = {140},
-	Year = {2014},
+	author = {{Pribram-Jones}, Aurora and Yang, Zeng-hui and Trail, John R. and Burke, Kieron and Needs, Richard J. and Ullrich, Carsten A.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4872255},
+	file = {/Users/loos/Zotero/storage/D8SVJKXC/Pribram-Jones et al. - 2014 - Excitations and benchmark ensemble density functio.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = may,
+	number = {18},
+	pages = {18A541},
+	title = {Excitations and Benchmark Ensemble Density Functional Theory for Two Electrons},
+	volume = {140},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4872255}}
 
 @article{Purvis_1982,
-	Author = {Purvis III, G. P. and Bartlett, R. J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
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-	Journal = {J. Chem. Phys.},
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-	Pages = {1910--1918},
-	Title = {A Full Coupled-Cluster Singles and Doubles Model: The Inclusion of Disconnected Triples},
-	Url = {https://doi.org/10.1063/1.443164},
-	Volume = {76},
-	Year = {1982},
+	author = {Purvis III, G. P. and Bartlett, R. J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.443164},
+	journal = {J. Chem. Phys.},
+	number = {4},
+	pages = {1910--1918},
+	title = {A Full Coupled-Cluster Singles and Doubles Model: The Inclusion of Disconnected Triples},
+	url = {https://doi.org/10.1063/1.443164},
+	volume = {76},
+	year = {1982},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.443164}}
 
 @article{Purwanto_2009,
-	Author = {Purwanto, Wirawan and Zhang, Shiwei and Krakauer, Henry},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.3077920},
-	File = {/Users/loos/Zotero/storage/JDM6C32K/Purwanto et al. - 2009 - Excited state calculations using phaseless auxilia.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = mar,
-	Number = {9},
-	Pages = {094107},
-	Shorttitle = {Excited State Calculations Using Phaseless Auxiliary-Field Quantum {{Monte Carlo}}},
-	Title = {Excited State Calculations Using Phaseless Auxiliary-Field Quantum {{Monte Carlo}}: {{Potential}} Energy Curves of Low-Lying {{C2}} Singlet States},
-	Volume = {130},
-	Year = {2009},
+	author = {Purwanto, Wirawan and Zhang, Shiwei and Krakauer, Henry},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.3077920},
+	file = {/Users/loos/Zotero/storage/JDM6C32K/Purwanto et al. - 2009 - Excited state calculations using phaseless auxilia.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = mar,
+	number = {9},
+	pages = {094107},
+	shorttitle = {Excited State Calculations Using Phaseless Auxiliary-Field Quantum {{Monte Carlo}}},
+	title = {Excited State Calculations Using Phaseless Auxiliary-Field Quantum {{Monte Carlo}}: {{Potential}} Energy Curves of Low-Lying {{C2}} Singlet States},
+	volume = {130},
+	year = {2009},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3077920}}
 
 @article{Purwanto_2009a,
-	Author = {Purwanto, Wirawan and Zhang, Shiwei and Krakauer, Henry},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.3077920},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = mar,
-	Number = {9},
-	Pages = {094107},
-	Shorttitle = {Excited State Calculations Using Phaseless Auxiliary-Field Quantum {{Monte Carlo}}},
-	Title = {Excited State Calculations Using Phaseless Auxiliary-Field Quantum {{Monte Carlo}}: {{Potential}} Energy Curves of Low-Lying {{C2}} Singlet States},
-	Volume = {130},
-	Year = {2009},
+	author = {Purwanto, Wirawan and Zhang, Shiwei and Krakauer, Henry},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.3077920},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = mar,
+	number = {9},
+	pages = {094107},
+	shorttitle = {Excited State Calculations Using Phaseless Auxiliary-Field Quantum {{Monte Carlo}}},
+	title = {Excited State Calculations Using Phaseless Auxiliary-Field Quantum {{Monte Carlo}}: {{Potential}} Energy Curves of Low-Lying {{C2}} Singlet States},
+	volume = {130},
+	year = {2009},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3077920}}
 
 @article{Puzder_2002,
-	Author = {Puzder, Aaron and Williamson, A. J. and Grossman, Jeffrey C. and Galli, Giulia},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.88.097401},
-	File = {/Users/loos/Zotero/storage/IRVFEN7H/Puzder et al. - 2002 - Surface Chemistry of Silicon Nanoclusters.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = feb,
-	Number = {9},
-	Pages = {097401},
-	Title = {Surface {{Chemistry}} of {{Silicon Nanoclusters}}},
-	Volume = {88},
-	Year = {2002},
+	author = {Puzder, Aaron and Williamson, A. J. and Grossman, Jeffrey C. and Galli, Giulia},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.88.097401},
+	file = {/Users/loos/Zotero/storage/IRVFEN7H/Puzder et al. - 2002 - Surface Chemistry of Silicon Nanoclusters.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = feb,
+	number = {9},
+	pages = {097401},
+	title = {Surface {{Chemistry}} of {{Silicon Nanoclusters}}},
+	volume = {88},
+	year = {2002},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.88.097401}}
 
 @article{Puzzarini_2014,
-	Author = {Puzzarini, Cristina and Penocchio, Emanuele and Biczysko, Malgorzata and Barone, Vincenzo},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/jp503672g},
-	Issn = {1089-5639, 1520-5215},
-	Journal = {J. Phys. Chem. A},
-	Language = {en},
-	Month = aug,
-	Number = {33},
-	Pages = {6648-6656},
-	Shorttitle = {Molecular {{Structure}} and {{Spectroscopic Signatures}} of {{Acrolein}}},
-	Title = {Molecular {{Structure}} and {{Spectroscopic Signatures}} of {{Acrolein}}: {{Theory Meets Experiment}}},
-	Volume = {118},
-	Year = {2014},
+	author = {Puzzarini, Cristina and Penocchio, Emanuele and Biczysko, Malgorzata and Barone, Vincenzo},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/jp503672g},
+	issn = {1089-5639, 1520-5215},
+	journal = {J. Phys. Chem. A},
+	language = {en},
+	month = aug,
+	number = {33},
+	pages = {6648-6656},
+	shorttitle = {Molecular {{Structure}} and {{Spectroscopic Signatures}} of {{Acrolein}}},
+	title = {Molecular {{Structure}} and {{Spectroscopic Signatures}} of {{Acrolein}}: {{Theory Meets Experiment}}},
+	volume = {118},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1021/jp503672g}}
 
 @misc{qmcchem,
-	Author = {A. Scemama and E. Giner and T. Applencourt and M. Caffarel},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Note = {https://github.com/scemama/qmcchem},
-	Title = {QMC=Chem},
-	Year = 2017}
+	author = {A. Scemama and E. Giner and T. Applencourt and M. Caffarel},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	note = {https://github.com/scemama/qmcchem},
+	title = {QMC=Chem},
+	year = 2017}
 
 @misc{QP,
-	Author = {A. Scemama and T. Applencourt and Y. Garniron and E. Giner and G. David and M. Caffarel},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.5281/zenodo.200970},
-	Month = {Dec},
-	Note = {\url{https://github.com/LCPQ/quantum_package}},
-	Publisher = {Zenodo},
-	Title = {Quantum Package v1.0},
-	Url = {https://github.com/LCPQ/quantum_package},
-	Year = {2016},
+	author = {A. Scemama and T. Applencourt and Y. Garniron and E. Giner and G. David and M. Caffarel},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.5281/zenodo.200970},
+	month = {Dec},
+	note = {\url{https://github.com/LCPQ/quantum_package}},
+	publisher = {Zenodo},
+	title = {Quantum Package v1.0},
+	url = {https://github.com/LCPQ/quantum_package},
+	year = {2016},
 	Bdsk-Url-1 = {https://github.com/LCPQ/quantum_package},
 	Bdsk-Url-2 = {http://dx.doi.org/10.5281/zenodo.200970}}
 
 @article{Ralphs_2013,
-	Author = {K Ralphs and G Serna and L R Hargreaves and M A Khakoo and C Winstead and V McKoy},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {J. Phys. B},
-	Number = {12},
-	Pages = {125201},
-	Title = {Excitation of the Six Lowest Electronic Transitions in Water by 9--20 eV Electrons},
-	Url = {http://stacks.iop.org/0953-4075/46/i=12/a=125201},
-	Volume = {46},
-	Year = {2013},
+	author = {K Ralphs and G Serna and L R Hargreaves and M A Khakoo and C Winstead and V McKoy},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {J. Phys. B},
+	number = {12},
+	pages = {125201},
+	title = {Excitation of the Six Lowest Electronic Transitions in Water by 9--20 eV Electrons},
+	url = {http://stacks.iop.org/0953-4075/46/i=12/a=125201},
+	volume = {46},
+	year = {2013},
 	Bdsk-Url-1 = {http://stacks.iop.org/0953-4075/46/i=12/a=125201}}
 
 @article{Rasch_2012,
-	Author = {Rasch, K.M. and Mitas, L.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/j.cplett.2012.01.016},
-	File = {/Users/loos/Zotero/storage/T9MW3FJE/Rasch and Mitas - 2012 - Impact of electron density on the fixed-node error.pdf},
-	Issn = {00092614},
-	Journal = {Chem. Phys. Lett.},
-	Language = {en},
-	Month = mar,
-	Pages = {59-62},
-	Title = {Impact of Electron Density on the Fixed-Node Errors in {{Quantum Monte Carlo}} of Atomic Systems},
-	Volume = {528},
-	Year = {2012},
+	author = {Rasch, K.M. and Mitas, L.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/j.cplett.2012.01.016},
+	file = {/Users/loos/Zotero/storage/T9MW3FJE/Rasch and Mitas - 2012 - Impact of electron density on the fixed-node error.pdf},
+	issn = {00092614},
+	journal = {Chem. Phys. Lett.},
+	language = {en},
+	month = mar,
+	pages = {59-62},
+	title = {Impact of Electron Density on the Fixed-Node Errors in {{Quantum Monte Carlo}} of Atomic Systems},
+	volume = {528},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1016/j.cplett.2012.01.016}}
 
 @article{Rasch_2014,
-	Author = {Rasch, Kevin M. and Hu, Shuming and Mitas, Lubos},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4862496},
-	File = {/Users/loos/Zotero/storage/I5JLCMNZ/Rasch et al. - 2014 - Communication Fixed-node errors in quantum Monte .pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = jan,
-	Number = {4},
-	Pages = {041102},
-	Shorttitle = {Communication},
-	Title = {Communication: {{Fixed}}-Node Errors in Quantum {{Monte Carlo}}: {{Interplay}} of Electron Density and Node Nonlinearities},
-	Volume = {140},
-	Year = {2014},
+	author = {Rasch, Kevin M. and Hu, Shuming and Mitas, Lubos},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4862496},
+	file = {/Users/loos/Zotero/storage/I5JLCMNZ/Rasch et al. - 2014 - Communication Fixed-node errors in quantum Monte .pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = jan,
+	number = {4},
+	pages = {041102},
+	shorttitle = {Communication},
+	title = {Communication: {{Fixed}}-Node Errors in Quantum {{Monte Carlo}}: {{Interplay}} of Electron Density and Node Nonlinearities},
+	volume = {140},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4862496}}
 
 @article{Requist_2008,
-	Author = {Requist, Ryan and Pankratov, Oleg},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevB.77.235121},
-	File = {/Users/loos/Zotero/storage/V99YCARD/Requist and Pankratov - 2008 - Generalized Kohn-Sham system in one-matrix functio.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = jun,
-	Number = {23},
-	Title = {Generalized {{Kohn}}-{{Sham}} System in One-Matrix Functional Theory},
-	Volume = {77},
-	Year = {2008},
+	author = {Requist, Ryan and Pankratov, Oleg},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevB.77.235121},
+	file = {/Users/loos/Zotero/storage/V99YCARD/Requist and Pankratov - 2008 - Generalized Kohn-Sham system in one-matrix functio.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = jun,
+	number = {23},
+	title = {Generalized {{Kohn}}-{{Sham}} System in One-Matrix Functional Theory},
+	volume = {77},
+	year = {2008},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.77.235121}}
 
 @article{Requist_2010,
-	Author = {Requist, Ryan and Pankratov, Oleg},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.81.042519},
-	File = {/Users/loos/Zotero/storage/9AXX6QF4/Requist and Pankratov - 2010 - Adiabatic approximation in time-dependent reduced-.pdf},
-	Issn = {1050-2947, 1094-1622},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = apr,
-	Number = {4},
-	Title = {Adiabatic Approximation in Time-Dependent Reduced-Density-Matrix Functional Theory},
-	Volume = {81},
-	Year = {2010},
+	author = {Requist, Ryan and Pankratov, Oleg},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.81.042519},
+	file = {/Users/loos/Zotero/storage/9AXX6QF4/Requist and Pankratov - 2010 - Adiabatic approximation in time-dependent reduced-.pdf},
+	issn = {1050-2947, 1094-1622},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = apr,
+	number = {4},
+	title = {Adiabatic Approximation in Time-Dependent Reduced-Density-Matrix Functional Theory},
+	volume = {81},
+	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.81.042519}}
 
 @article{Reynolds_1982,
-	Author = {Reynolds, Peter J. and Ceperley, David M. and Alder, Berni J. and Lester, William A.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.443766},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Dec},
-	Number = {11},
-	Pages = {5593--5603},
-	Publisher = {AIP Publishing},
-	Title = {Fixed‐node quantum Monte Carlo for moleculesa) b)},
-	Url = {http://dx.doi.org/10.1063/1.443766},
-	Volume = {77},
-	Year = {1982},
+	author = {Reynolds, Peter J. and Ceperley, David M. and Alder, Berni J. and Lester, William A.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.443766},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Dec},
+	number = {11},
+	pages = {5593--5603},
+	publisher = {AIP Publishing},
+	title = {Fixed‐node quantum Monte Carlo for moleculesa) b)},
+	url = {http://dx.doi.org/10.1063/1.443766},
+	volume = {77},
+	year = {1982},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.443766}}
 
 @article{Rhee_2007,
-	Author = {Rhee, Young Min and Head-Gordon, Martin},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/jp068409j},
-	Journal = {J. Phys. Chem. A},
-	Pages = {5314-5326},
-	Title = {Scaled Second-Order Perturbation Corrections to Configuration Interaction Singles:  Efficient and Reliable Excitation Energy Methods},
-	Url = {http://dx.doi.org/10.1021/jp068409j},
-	Volume = {111},
-	Year = {2007},
+	author = {Rhee, Young Min and Head-Gordon, Martin},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/jp068409j},
+	journal = {J. Phys. Chem. A},
+	pages = {5314-5326},
+	title = {Scaled Second-Order Perturbation Corrections to Configuration Interaction Singles:  Efficient and Reliable Excitation Energy Methods},
+	url = {http://dx.doi.org/10.1021/jp068409j},
+	volume = {111},
+	year = {2007},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1021/jp068409j}}
 
 @inproceedings{Rivail_2006,
-	Author = {Rivail, J. L. and Bouchy, A. and Loos, P. F.},
-	Booktitle = {Anales de La {{Asociaci\'on Qu\'imica Argentina}}},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	File = {/Users/loos/Zotero/storage/XGMNTL9R/3.pdf},
-	Pages = {19--26},
-	Publisher = {{SciELO Argentina}},
-	Title = {Electronic Factors Favouring the Cis Conformation in Proline Peptidic Bonds},
-	Volume = {94},
-	Year = {2006}}
+	author = {Rivail, J. L. and Bouchy, A. and Loos, P. F.},
+	booktitle = {Anales de La {{Asociaci\'on Qu\'imica Argentina}}},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	file = {/Users/loos/Zotero/storage/XGMNTL9R/3.pdf},
+	pages = {19--26},
+	publisher = {{SciELO Argentina}},
+	title = {Electronic Factors Favouring the Cis Conformation in Proline Peptidic Bonds},
+	volume = {94},
+	year = {2006}}
 
 @book{Robin_1985,
-	Author = {Melvin B. Robin},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {http://dx.doi.org/10.1016/B978-0-12-589903-1.50016-3},
-	Editor = {Melvin B. Robin},
-	Isbn = {978-0-12-589903-1},
-	Publisher = {Academic Press},
-	Title = {Higher Excited States of Polyatomic Molecules},
-	Url = {http://www.sciencedirect.com/science/article/pii/B9780125899031500163},
-	Volume = {III},
-	Year = {1985},
+	author = {Melvin B. Robin},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {http://dx.doi.org/10.1016/B978-0-12-589903-1.50016-3},
+	editor = {Melvin B. Robin},
+	isbn = {978-0-12-589903-1},
+	publisher = {Academic Press},
+	title = {Higher Excited States of Polyatomic Molecules},
+	url = {http://www.sciencedirect.com/science/article/pii/B9780125899031500163},
+	volume = {III},
+	year = {1985},
 	Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/B9780125899031500163},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1016/B978-0-12-589903-1.50016-3}}
 
 @article{Robinson_2017,
-	Author = {Robinson, Paul J. and Pineda Flores, Sergio D. and Neuscamman, Eric},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.5008743},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = oct,
-	Number = {16},
-	Pages = {164114},
-	Title = {Excitation Variance Matching with Limited Configuration Interaction Expansions in Variational {{Monte Carlo}}},
-	Volume = {147},
-	Year = {2017},
+	author = {Robinson, Paul J. and Pineda Flores, Sergio D. and Neuscamman, Eric},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.5008743},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = oct,
+	number = {16},
+	pages = {164114},
+	title = {Excitation Variance Matching with Limited Configuration Interaction Expansions in Variational {{Monte Carlo}}},
+	volume = {147},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.5008743}}
 
 @article{Rogers_2016,
-	Author = {Rogers, Fergus J. M. and Ball, Caleb J. and Loos, Pierre-Fran{\c c}ois},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevB.93.235114},
-	File = {/Users/loos/Zotero/storage/PD5I8W55/51.pdf},
-	Issn = {2469-9950, 2469-9969},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = jun,
-	Number = {23},
-	Pages = {235114},
-	Title = {Symmetry-Broken Local-Density Approximation for One-Dimensional Systems},
-	Volume = {93},
-	Year = {2016},
+	author = {Rogers, Fergus J. M. and Ball, Caleb J. and Loos, Pierre-Fran{\c c}ois},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevB.93.235114},
+	file = {/Users/loos/Zotero/storage/PD5I8W55/51.pdf},
+	issn = {2469-9950, 2469-9969},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = jun,
+	number = {23},
+	pages = {235114},
+	title = {Symmetry-Broken Local-Density Approximation for One-Dimensional Systems},
+	volume = {93},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.93.235114}}
 
 @article{Rogers_2017,
-	Author = {Rogers, Fergus JM and Loos, Pierre-Fran{\c c}ois},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	File = {/Users/loos/Zotero/storage/EJULV3C4/53.pdf},
-	Journal = {J. Chem. Phys.},
-	Number = {4},
-	Pages = {044114},
-	Title = {Excited-State {{Wigner}} Crystals},
-	Volume = {146},
-	Year = {2017}}
+	author = {Rogers, Fergus JM and Loos, Pierre-Fran{\c c}ois},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	file = {/Users/loos/Zotero/storage/EJULV3C4/53.pdf},
+	journal = {J. Chem. Phys.},
+	number = {4},
+	pages = {044114},
+	title = {Excited-State {{Wigner}} Crystals},
+	volume = {146},
+	year = {2017}}
 
 @inbook{Roos,
-	Author = {B. O. Roos, K. Andersson and M. P. Fulscher and P.-A. Malmqvist and L. {Serrano-Andres}},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Editor = {I. Prigogine and S. A. Rice},
-	Pages = {219--331},
-	Publisher = {Wiley, New York},
-	Title = {Adv. Chem. Phys.},
-	Volume = {XCIII},
-	Year = {1996}}
+	author = {B. O. Roos, K. Andersson and M. P. Fulscher and P.-A. Malmqvist and L. {Serrano-Andres}},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	editor = {I. Prigogine and S. A. Rice},
+	pages = {219--331},
+	publisher = {Wiley, New York},
+	title = {Adv. Chem. Phys.},
+	volume = {XCIII},
+	year = {1996}}
 
 @article{Rubio_1999,
-	Author = {Rubio, Mercedes and Roos, Bjorn O.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1080/00268979909482997},
-	Issn = {0026-8976, 1362-3028},
-	Journal = {Mol. Phys.},
-	Language = {en},
-	Month = feb,
-	Number = {4},
-	Pages = {603-615},
-	Title = {A Theoretical Study of the Electronic Spectrum of S-Tetrazine},
-	Volume = {96},
-	Year = {1999},
+	author = {Rubio, Mercedes and Roos, Bjorn O.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1080/00268979909482997},
+	issn = {0026-8976, 1362-3028},
+	journal = {Mol. Phys.},
+	language = {en},
+	month = feb,
+	number = {4},
+	pages = {603-615},
+	title = {A Theoretical Study of the Electronic Spectrum of S-Tetrazine},
+	volume = {96},
+	year = {1999},
 	Bdsk-Url-1 = {https://doi.org/10.1080/00268979909482997}}
 
 @article{Rubio_2008,
-	Author = {Mercedes Rubio and Luis Serrano-Andr{\'e}s and Manuela Merch{\'a}n},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.2837827},
-	Journal = {J. Chem. Phys.},
-	Number = {10},
-	Pages = {104305},
-	Title = {Excited States of the Water Molecule: Analysis of the Valence and Rydberg Character},
-	Url = {https://doi.org/10.1063/1.2837827},
-	Volume = {128},
-	Year = {2008},
+	author = {Mercedes Rubio and Luis Serrano-Andr{\'e}s and Manuela Merch{\'a}n},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.2837827},
+	journal = {J. Chem. Phys.},
+	number = {10},
+	pages = {104305},
+	title = {Excited States of the Water Molecule: Analysis of the Valence and Rydberg Character},
+	url = {https://doi.org/10.1063/1.2837827},
+	volume = {128},
+	year = {2008},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.2837827}}
 
 @article{Sagredo_2018,
-	Author = {Sagredo, Francisca and Burke, Kieron},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.5043411},
-	File = {/Users/loos/Zotero/storage/DBPV69BW/Sagredo and Burke - 2018 - Accurate double excitations from ensemble density .pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = oct,
-	Number = {13},
-	Pages = {134103},
-	Title = {Accurate Double Excitations from Ensemble Density Functional Calculations},
-	Volume = {149},
-	Year = {2018},
+	author = {Sagredo, Francisca and Burke, Kieron},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.5043411},
+	file = {/Users/loos/Zotero/storage/DBPV69BW/Sagredo and Burke - 2018 - Accurate double excitations from ensemble density .pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = oct,
+	number = {13},
+	pages = {134103},
+	title = {Accurate Double Excitations from Ensemble Density Functional Calculations},
+	volume = {149},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.5043411}}
 
 @article{Saha_2006,
-	Author = {Saha, Biswajit and Ehara, Masahiro and Nakatsuji, Hiroshi},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.2200344},
-	File = {/Users/loos/Zotero/storage/AAQ8UJE5/Saha et al. - 2006 - Singly and doubly excited states of butadiene, acr.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = jul,
-	Number = {1},
-	Pages = {014316},
-	Shorttitle = {Singly and Doubly Excited States of Butadiene, Acrolein, and Glyoxal},
-	Title = {Singly and Doubly Excited States of Butadiene, Acrolein, and Glyoxal: {{Geometries}} and Electronic Spectra},
-	Volume = {125},
-	Year = {2006},
+	author = {Saha, Biswajit and Ehara, Masahiro and Nakatsuji, Hiroshi},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.2200344},
+	file = {/Users/loos/Zotero/storage/AAQ8UJE5/Saha et al. - 2006 - Singly and doubly excited states of butadiene, acr.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = jul,
+	number = {1},
+	pages = {014316},
+	shorttitle = {Singly and Doubly Excited States of Butadiene, Acrolein, and Glyoxal},
+	title = {Singly and Doubly Excited States of Butadiene, Acrolein, and Glyoxal: {{Geometries}} and Electronic Spectra},
+	volume = {125},
+	year = {2006},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.2200344}}
 
 @article{Santoro_2016,
-	Author = {Santoro, Fabrizio and Jacquemin, Denis},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/wcms.1260},
-	Issn = {1759-0884},
-	Journal = {WIREs Comput. Mol. Sci.},
-	Number = {5},
-	Pages = {460--486},
-	Publisher = {Wiley Periodicals, Inc.},
-	Title = {Going Beyond the Vertical Approximation with Time-Dependent Density Functional Theory},
-	Url = {http://dx.doi.org/10.1002/wcms.1260},
-	Volume = {6},
-	Year = {2016},
+	author = {Santoro, Fabrizio and Jacquemin, Denis},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/wcms.1260},
+	issn = {1759-0884},
+	journal = {WIREs Comput. Mol. Sci.},
+	number = {5},
+	pages = {460--486},
+	publisher = {Wiley Periodicals, Inc.},
+	title = {Going Beyond the Vertical Approximation with Time-Dependent Density Functional Theory},
+	url = {http://dx.doi.org/10.1002/wcms.1260},
+	volume = {6},
+	year = {2016},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1002/wcms.1260}}
 
 @article{Scemama_2004,
-	Author = {Scemama, Anthony and Chaquin, Patrick and Caffarel, Michel},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.1765098},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Jul},
-	Number = {4},
-	Pages = {1725--1735},
-	Publisher = {AIP Publishing},
-	Title = {Electron pair localization function: A practical tool to visualize electron localization in molecules from quantum Monte Carlo data},
-	Url = {http://dx.doi.org/10.1063/1.1765098},
-	Volume = {121},
-	Year = {2004},
+	author = {Scemama, Anthony and Chaquin, Patrick and Caffarel, Michel},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.1765098},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Jul},
+	number = {4},
+	pages = {1725--1735},
+	publisher = {AIP Publishing},
+	title = {Electron pair localization function: A practical tool to visualize electron localization in molecules from quantum Monte Carlo data},
+	url = {http://dx.doi.org/10.1063/1.1765098},
+	volume = {121},
+	year = {2004},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.1765098}}
 
 @article{Scemama_2006a,
-	Author = {Scemama, Anthony and Leli{\`e}vre, Tony and Stoltz, Gabriel and Canc{\`e}s, Eric and Caffarel, Michel},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.2354490},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Sep},
-	Number = {11},
-	Pages = {114105},
-	Publisher = {AIP Publishing},
-	Title = {An efficient sampling algorithm for variational Monte Carlo},
-	Url = {http://dx.doi.org/10.1063/1.2354490},
-	Volume = {125},
-	Year = {2006},
+	author = {Scemama, Anthony and Leli{\`e}vre, Tony and Stoltz, Gabriel and Canc{\`e}s, Eric and Caffarel, Michel},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.2354490},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Sep},
+	number = {11},
+	pages = {114105},
+	publisher = {AIP Publishing},
+	title = {An efficient sampling algorithm for variational Monte Carlo},
+	url = {http://dx.doi.org/10.1063/1.2354490},
+	volume = {125},
+	year = {2006},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.2354490}}
 
 @article{Scemama_2006b,
-	Author = {Scemama, Anthony and Caffarel, Michel and Savin, Andreas},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/jcc.20526},
-	Issn = {1096-987X},
-	Journal = {J. Comput. Chem.},
-	Number = {1},
-	Pages = {442--454},
-	Publisher = {Wiley-Blackwell},
-	Title = {Maximum probability domains from Quantum Monte Carlo calculations},
-	Url = {http://dx.doi.org/10.1002/jcc.20526},
-	Volume = {28},
-	Year = {2006},
+	author = {Scemama, Anthony and Caffarel, Michel and Savin, Andreas},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/jcc.20526},
+	issn = {1096-987X},
+	journal = {J. Comput. Chem.},
+	number = {1},
+	pages = {442--454},
+	publisher = {Wiley-Blackwell},
+	title = {Maximum probability domains from Quantum Monte Carlo calculations},
+	url = {http://dx.doi.org/10.1002/jcc.20526},
+	volume = {28},
+	year = {2006},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1002/jcc.20526}}
 
 @article{Scemama_2006c,
-	Author = {Scemama, Anthony and Filippi, Claudia},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/physrevb.73.241101},
-	Issn = {1550-235X},
-	Journal = {Phys. Rev. B},
-	Month = {Jun},
-	Number = {24},
-	Publisher = {American Physical Society (APS)},
-	Title = {Simple and efficient approach to the optimization of correlated wave functions},
-	Url = {http://dx.doi.org/10.1103/PhysRevB.73.241101},
-	Volume = {73},
-	Year = {2006},
+	author = {Scemama, Anthony and Filippi, Claudia},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/physrevb.73.241101},
+	issn = {1550-235X},
+	journal = {Phys. Rev. B},
+	month = {Jun},
+	number = {24},
+	publisher = {American Physical Society (APS)},
+	title = {Simple and efficient approach to the optimization of correlated wave functions},
+	url = {http://dx.doi.org/10.1103/PhysRevB.73.241101},
+	volume = {73},
+	year = {2006},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevB.73.241101},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1103/physrevb.73.241101}}
 
 @article{Scemama_2011,
-	Author = {Scemama, Anthony and Caffarel, Michel and Chaudret, Robin and Piquemal, Jean-Philip},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/ct1005938},
-	Issn = {1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Month = {Mar},
-	Number = {3},
-	Pages = {618--624},
-	Publisher = {American Chemical Society (ACS)},
-	Title = {Electron Pair Localization Function (EPLF) for Density Functional Theory andab InitioWave Function-Based Methods: A New Tool for Chemical Interpretation},
-	Url = {http://dx.doi.org/10.1021/ct1005938},
-	Volume = {7},
-	Year = {2011},
+	author = {Scemama, Anthony and Caffarel, Michel and Chaudret, Robin and Piquemal, Jean-Philip},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/ct1005938},
+	issn = {1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	month = {Mar},
+	number = {3},
+	pages = {618--624},
+	publisher = {American Chemical Society (ACS)},
+	title = {Electron Pair Localization Function (EPLF) for Density Functional Theory andab InitioWave Function-Based Methods: A New Tool for Chemical Interpretation},
+	url = {http://dx.doi.org/10.1021/ct1005938},
+	volume = {7},
+	year = {2011},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1021/ct1005938}}
 
 @article{Scemama_2014,
-	Author = {Scemama, A. and Applencourt, T. and Giner, E. and Caffarel, M.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4903985},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Dec},
-	Number = {24},
-	Pages = {244110},
-	Publisher = {AIP Publishing},
-	Title = {Accurate nonrelativistic ground-state energies of 3d transition metal atoms},
-	Url = {http://dx.doi.org/10.1063/1.4903985},
-	Volume = {141},
-	Year = {2014},
+	author = {Scemama, A. and Applencourt, T. and Giner, E. and Caffarel, M.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4903985},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Dec},
+	number = {24},
+	pages = {244110},
+	publisher = {AIP Publishing},
+	title = {Accurate nonrelativistic ground-state energies of 3d transition metal atoms},
+	url = {http://dx.doi.org/10.1063/1.4903985},
+	volume = {141},
+	year = {2014},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4903985}}
 
 @article{Schapiro_2014,
-	Author = {Schapiro, Igor and Neese, Frank},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/j.comptc.2014.04.002},
-	Issn = {2210271X},
-	Journal = {Comput. Theor. Chem.},
-	Language = {en},
-	Month = jul,
-	Pages = {84-98},
-	Shorttitle = {{{SORCI}} for Photochemical and Thermal Reaction Paths},
-	Title = {{{SORCI}} for Photochemical and Thermal Reaction Paths: {{A}} Benchmark Study},
-	Volume = {1040-1041},
-	Year = {2014},
+	author = {Schapiro, Igor and Neese, Frank},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/j.comptc.2014.04.002},
+	issn = {2210271X},
+	journal = {Comput. Theor. Chem.},
+	language = {en},
+	month = jul,
+	pages = {84-98},
+	shorttitle = {{{SORCI}} for Photochemical and Thermal Reaction Paths},
+	title = {{{SORCI}} for Photochemical and Thermal Reaction Paths: {{A}} Benchmark Study},
+	volume = {1040-1041},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1016/j.comptc.2014.04.002}}
 
 @article{Schautz_2004,
-	Author = {Schautz, Friedemann and Buda, Francesco and Filippi, Claudia},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.1777212},
-	File = {/Users/loos/Zotero/storage/5RR2KJFP/Schautz et al. - 2004 - Excitations in photoactive molecules from quantum .pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = sep,
-	Number = {12},
-	Pages = {5836-5844},
-	Title = {Excitations in Photoactive Molecules from Quantum {{Monte Carlo}}},
-	Volume = {121},
-	Year = {2004},
+	author = {Schautz, Friedemann and Buda, Francesco and Filippi, Claudia},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.1777212},
+	file = {/Users/loos/Zotero/storage/5RR2KJFP/Schautz et al. - 2004 - Excitations in photoactive molecules from quantum .pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = sep,
+	number = {12},
+	pages = {5836-5844},
+	title = {Excitations in Photoactive Molecules from Quantum {{Monte Carlo}}},
+	volume = {121},
+	year = {2004},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1777212}}
 
 @article{Schautz_2004e,
-	Author = {Friedemann Schautz and Francesco Buda and Claudia Filippi},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.1777212},
-	Journal = {J. Chem. Phys.},
-	Number = {12},
-	Pages = {5836--5844},
-	Title = {Excitations in Photoactive Molecules from Quantum Monte Carlo},
-	Url = {https://doi.org/10.1063/1.1777212},
-	Volume = {121},
-	Year = {2004},
+	author = {Friedemann Schautz and Francesco Buda and Claudia Filippi},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.1777212},
+	journal = {J. Chem. Phys.},
+	number = {12},
+	pages = {5836--5844},
+	title = {Excitations in Photoactive Molecules from Quantum Monte Carlo},
+	url = {https://doi.org/10.1063/1.1777212},
+	volume = {121},
+	year = {2004},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1777212}}
 
 @article{Schmelcher_1990,
-	Author = {P. Schmelcher and L. S. Cederbaum},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Phys. Rev. A},
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-	Volume = {41},
-	Year = {1990}}
+	author = {P. Schmelcher and L. S. Cederbaum},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Phys. Rev. A},
+	pages = {4936},
+	volume = {41},
+	year = {1990}}
 
 @article{Schmelcher_1997,
-	Author = {P. Schmelcher and L. S. Cederbaum},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Int. J. Quantum Chem.},
-	Pages = {501},
-	Volume = {64},
-	Year = {1997}}
+	author = {P. Schmelcher and L. S. Cederbaum},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Int. J. Quantum Chem.},
+	pages = {501},
+	volume = {64},
+	year = {1997}}
 
 @article{Schmelcher_2012,
-	Author = {P. Schmelcher},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Science},
-	Pages = {302},
-	Volume = {337},
-	Year = {2012}}
+	author = {P. Schmelcher},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Science},
+	pages = {302},
+	volume = {337},
+	year = {2012}}
 
 @article{Schmidt_1990,
-	Author = {Schmidt, K. E. and Moskowitz, J. W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.458750},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Sep},
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-	Pages = {4172--4178},
-	Publisher = {AIP Publishing},
-	Title = {Correlated Monte Carlo wave functions for the atoms He through Ne},
-	Url = {http://dx.doi.org/10.1063/1.458750},
-	Volume = {93},
-	Year = {1990},
+	author = {Schmidt, K. E. and Moskowitz, J. W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.458750},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Sep},
+	number = {6},
+	pages = {4172--4178},
+	publisher = {AIP Publishing},
+	title = {Correlated Monte Carlo wave functions for the atoms He through Ne},
+	url = {http://dx.doi.org/10.1063/1.458750},
+	volume = {93},
+	year = {1990},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.458750}}
 
 @article{Schmidt_1993,
-	Author = {Schmidt, Michael W. and Baldridge, Kim K. and Boatz, Jerry A. and Elbert, Steven T. and Gordon, Mark S. and Jensen, Jan H. and Koseki, Shiro and Matsunaga, Nikita and Nguyen, Kiet A. and Su, Shujun and et al.},
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-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/jcc.540141112},
-	Issn = {1096-987X},
-	Journal = {J. Comput. Chem.},
-	Month = {Nov},
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-	Pages = {1347--1363},
-	Publisher = {Wiley-Blackwell},
-	Title = {General atomic and molecular electronic structure system},
-	Url = {http://dx.doi.org/10.1002/jcc.540141112},
-	Volume = {14},
-	Year = {1993},
+	author = {Schmidt, Michael W. and Baldridge, Kim K. and Boatz, Jerry A. and Elbert, Steven T. and Gordon, Mark S. and Jensen, Jan H. and Koseki, Shiro and Matsunaga, Nikita and Nguyen, Kiet A. and Su, Shujun and et al.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/jcc.540141112},
+	issn = {1096-987X},
+	journal = {J. Comput. Chem.},
+	month = {Nov},
+	number = {11},
+	pages = {1347--1363},
+	publisher = {Wiley-Blackwell},
+	title = {General atomic and molecular electronic structure system},
+	url = {http://dx.doi.org/10.1002/jcc.540141112},
+	volume = {14},
+	year = {1993},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1002/jcc.540141112}}
 
 @article{Schonhammer_1988,
-	Author = {Schonhammer, K. and Gunnarsson, O.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevB.37.3128},
-	File = {/Users/loos/Zotero/storage/MW5GAI97/Schonhammer and Gunnarsson - 1988 - Difference between the quasiparticle and the Kohn-.pdf},
-	Issn = {0163-1829},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = feb,
-	Number = {6},
-	Pages = {3128-3129},
-	Title = {Difference between the Quasiparticle and the {{Kohn}}-{{Sham}}-{{Fermi}} Surfaces},
-	Volume = {37},
-	Year = {1988},
+	author = {Schonhammer, K. and Gunnarsson, O.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevB.37.3128},
+	file = {/Users/loos/Zotero/storage/MW5GAI97/Schonhammer and Gunnarsson - 1988 - Difference between the quasiparticle and the Kohn-.pdf},
+	issn = {0163-1829},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = feb,
+	number = {6},
+	pages = {3128-3129},
+	title = {Difference between the Quasiparticle and the {{Kohn}}-{{Sham}}-{{Fermi}} Surfaces},
+	volume = {37},
+	year = {1988},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.37.3128}}
 
 @article{Schonhammer_1995,
-	Author = {Sch\"onhammer, K. and Gunnarsson, O. and Noack, R. M.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevB.52.2504},
-	File = {/Users/loos/Zotero/storage/68DMD75P/Sch{\"o}nhammer et al. - 1995 - Density-functional theory on a lattice Comparison.pdf},
-	Issn = {0163-1829, 1095-3795},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = jul,
-	Number = {4},
-	Pages = {2504-2510},
-	Shorttitle = {Density-Functional Theory on a Lattice},
-	Title = {Density-Functional Theory on a Lattice: {{Comparison}} with Exact Numerical Results for a Model with Strongly Correlated Electrons},
-	Volume = {52},
-	Year = {1995},
+	author = {Sch\"onhammer, K. and Gunnarsson, O. and Noack, R. M.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevB.52.2504},
+	file = {/Users/loos/Zotero/storage/68DMD75P/Sch{\"o}nhammer et al. - 1995 - Density-functional theory on a lattice Comparison.pdf},
+	issn = {0163-1829, 1095-3795},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = jul,
+	number = {4},
+	pages = {2504-2510},
+	shorttitle = {Density-Functional Theory on a Lattice},
+	title = {Density-Functional Theory on a Lattice: {{Comparison}} with Exact Numerical Results for a Model with Strongly Correlated Electrons},
+	volume = {52},
+	year = {1995},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.52.2504}}
 
 @article{Schriber_2016,
-	Author = {Schriber, Jeffrey B. and Evangelista, Francesco A.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4948308},
-	File = {Full Text PDF:/home/scemama/Dropbox/Zotero/storage/XR99ZTDH/Schriber and Evangelista - 2016 - Communication An adaptive configuration interacti.pdf:application/pdf;Snapshot:/home/scemama/Dropbox/Zotero/storage/6KITP3BL/1.html:text/html},
-	Issn = {0021-9606},
-	Journal = {J. Chem. Phys.},
-	Month = apr,
-	Number = {16},
-	Pages = {161106},
-	Shorttitle = {Communication},
-	Title = {Communication: {An} adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy},
-	Url = {http://aip.scitation.org/doi/abs/10.1063/1.4948308},
-	Urldate = {2017-11-17},
-	Volume = {144},
-	Year = {2016},
+	author = {Schriber, Jeffrey B. and Evangelista, Francesco A.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4948308},
+	file = {Full Text PDF:/home/scemama/Dropbox/Zotero/storage/XR99ZTDH/Schriber and Evangelista - 2016 - Communication An adaptive configuration interacti.pdf:application/pdf;Snapshot:/home/scemama/Dropbox/Zotero/storage/6KITP3BL/1.html:text/html},
+	issn = {0021-9606},
+	journal = {J. Chem. Phys.},
+	month = apr,
+	number = {16},
+	pages = {161106},
+	shorttitle = {Communication},
+	title = {Communication: {An} adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy},
+	url = {http://aip.scitation.org/doi/abs/10.1063/1.4948308},
+	urldate = {2017-11-17},
+	volume = {144},
+	year = {2016},
 	Bdsk-Url-1 = {http://aip.scitation.org/doi/abs/10.1063/1.4948308},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.4948308}}
 
 @article{Schultz_2005,
-	Author = {Schultz, Nathan E. and Zhao, Yan and Truhlar, Donald G.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/jp0539223},
-	Issn = {1520-5215},
-	Journal = {J. Phys. Chem. A},
-	Month = {Dec},
-	Number = {49},
-	Pages = {11127--11143},
-	Publisher = {American Chemical Society (ACS)},
-	Title = {Density Functionals for Inorganometallic and Organometallic Chemistry},
-	Url = {http://dx.doi.org/10.1021/jp0539223},
-	Volume = {109},
-	Year = {2005},
+	author = {Schultz, Nathan E. and Zhao, Yan and Truhlar, Donald G.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/jp0539223},
+	issn = {1520-5215},
+	journal = {J. Phys. Chem. A},
+	month = {Dec},
+	number = {49},
+	pages = {11127--11143},
+	publisher = {American Chemical Society (ACS)},
+	title = {Density Functionals for Inorganometallic and Organometallic Chemistry},
+	url = {http://dx.doi.org/10.1021/jp0539223},
+	volume = {109},
+	year = {2005},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1021/jp0539223}}
 
 @article{Schulz_1993,
-	Author = {H. J. Schulz},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.71.1864},
-	Journal = {Phys. Rev. Lett.},
-	Pages = {1864},
-	Title = {Wigner crystal in one dimension},
-	Volume = {71},
-	Year = {1993},
+	author = {H. J. Schulz},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.71.1864},
+	journal = {Phys. Rev. Lett.},
+	pages = {1864},
+	title = {Wigner crystal in one dimension},
+	volume = {71},
+	year = {1993},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.71.1864}}
 
 @article{Scott_2007,
-	Author = {Scott, Tony C. and L{\"u}chow, Arne and Bressanini, Dario and Morgan, John D.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.75.060101},
-	File = {/Users/loos/Zotero/storage/4YUQ987L/Scott et al. - 2007 - Nodal surfaces of helium atom eigenfunctions.pdf},
-	Issn = {1050-2947, 1094-1622},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = jun,
-	Number = {6},
-	Pages = {060101},
-	Title = {Nodal Surfaces of Helium Atom Eigenfunctions},
-	Volume = {75},
-	Year = {2007},
+	author = {Scott, Tony C. and L{\"u}chow, Arne and Bressanini, Dario and Morgan, John D.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.75.060101},
+	file = {/Users/loos/Zotero/storage/4YUQ987L/Scott et al. - 2007 - Nodal surfaces of helium atom eigenfunctions.pdf},
+	issn = {1050-2947, 1094-1622},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = jun,
+	number = {6},
+	pages = {060101},
+	title = {Nodal Surfaces of Helium Atom Eigenfunctions},
+	volume = {75},
+	year = {2007},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.75.060101}}
 
 @article{Seidl_2010,
-	Author = {Seidl, Michael and {Gori-Giorgi}, Paola},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.81.012508},
-	File = {/Users/loos/Zotero/storage/D2GW9MHB/Seidl and Gori-Giorgi - 2010 - Adiabatic connection at negative coupling strength.pdf},
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-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = jan,
-	Number = {1},
-	Title = {Adiabatic Connection at Negative Coupling Strengths},
-	Volume = {81},
-	Year = {2010},
+	author = {Seidl, Michael and {Gori-Giorgi}, Paola},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.81.012508},
+	file = {/Users/loos/Zotero/storage/D2GW9MHB/Seidl and Gori-Giorgi - 2010 - Adiabatic connection at negative coupling strength.pdf},
+	issn = {1050-2947, 1094-1622},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = jan,
+	number = {1},
+	title = {Adiabatic Connection at Negative Coupling Strengths},
+	volume = {81},
+	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.81.012508}}
 
 @article{Send_2011b,
-	Author = {Send, R. and Valsson, O. and Filippi, C.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-09-04 09:11:47 +0200},
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-	Pages = {444--455},
-	Title = {Electronic Excitations of Simple Cyanine Dyes: Reconciling Density Functional and Wave Function Methods},
-	Volume = {7},
-	Year = {2011}}
+	author = {Send, R. and Valsson, O. and Filippi, C.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-09-04 09:11:47 +0200},
+	journal = {J. Chem. Theory Comput.},
+	number = {2},
+	pages = {444--455},
+	title = {Electronic Excitations of Simple Cyanine Dyes: Reconciling Density Functional and Wave Function Methods},
+	volume = {7},
+	year = {2011}}
 
 @article{Senjean_2015,
-	Author = {Senjean, Bruno and Knecht, Stefan and Jensen, Hans J\o{}rgen Aa. and Fromager, Emmanuel},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.92.012518},
-	File = {/Users/loos/Zotero/storage/IC928IFM/Senjean et al. - 2015 - Linear interpolation method in ensemble Kohn-Sham .pdf},
-	Issn = {1050-2947, 1094-1622},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = jul,
-	Number = {1},
-	Pages = {012518},
-	Title = {Linear Interpolation Method in Ensemble {{Kohn}}-{{Sham}} and Range-Separated Density-Functional Approximations for Excited States},
-	Volume = {92},
-	Year = {2015},
+	author = {Senjean, Bruno and Knecht, Stefan and Jensen, Hans J\o{}rgen Aa. and Fromager, Emmanuel},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.92.012518},
+	file = {/Users/loos/Zotero/storage/IC928IFM/Senjean et al. - 2015 - Linear interpolation method in ensemble Kohn-Sham .pdf},
+	issn = {1050-2947, 1094-1622},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = jul,
+	number = {1},
+	pages = {012518},
+	title = {Linear Interpolation Method in Ensemble {{Kohn}}-{{Sham}} and Range-Separated Density-Functional Approximations for Excited States},
+	volume = {92},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.92.012518}}
 
 @article{Senjean_2016,
-	Author = {Senjean, Bruno and Hedeg\aa{}rd, Erik D. and Alam, Md. Mehboob and Knecht, Stefan and Fromager, Emmanuel},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1080/00268976.2015.1119902},
-	File = {/Users/loos/Zotero/storage/B4S5PIVV/Senjean et al. - 2016 - Combining linear interpolation with extrapolation .pdf},
-	Issn = {0026-8976, 1362-3028},
-	Journal = {Mol. Phys.},
-	Language = {en},
-	Month = apr,
-	Number = {7-8},
-	Pages = {968-981},
-	Title = {Combining Linear Interpolation with Extrapolation Methods in Range-Separated Ensemble Density Functional Theory},
-	Volume = {114},
-	Year = {2016},
+	author = {Senjean, Bruno and Hedeg\aa{}rd, Erik D. and Alam, Md. Mehboob and Knecht, Stefan and Fromager, Emmanuel},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1080/00268976.2015.1119902},
+	file = {/Users/loos/Zotero/storage/B4S5PIVV/Senjean et al. - 2016 - Combining linear interpolation with extrapolation .pdf},
+	issn = {0026-8976, 1362-3028},
+	journal = {Mol. Phys.},
+	language = {en},
+	month = apr,
+	number = {7-8},
+	pages = {968-981},
+	title = {Combining Linear Interpolation with Extrapolation Methods in Range-Separated Ensemble Density Functional Theory},
+	volume = {114},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1080/00268976.2015.1119902}}
 
 @article{Senjean_2018,
-	Author = {Senjean, Bruno and Fromager, Emmanuel},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.98.022513},
-	File = {/Users/loos/Zotero/storage/XHIRK2VF/Senjean and Fromager - 2018 - Unified formulation of fundamental and optical gap.pdf},
-	Issn = {2469-9926, 2469-9934},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = aug,
-	Number = {2},
-	Pages = {022513},
-	Title = {Unified Formulation of Fundamental and Optical Gap Problems in Density-Functional Theory for Ensembles},
-	Volume = {98},
-	Year = {2018},
+	author = {Senjean, Bruno and Fromager, Emmanuel},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.98.022513},
+	file = {/Users/loos/Zotero/storage/XHIRK2VF/Senjean and Fromager - 2018 - Unified formulation of fundamental and optical gap.pdf},
+	issn = {2469-9926, 2469-9934},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = aug,
+	number = {2},
+	pages = {022513},
+	title = {Unified Formulation of Fundamental and Optical Gap Problems in Density-Functional Theory for Ensembles},
+	volume = {98},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.98.022513}}
 
 @article{Serrano-Andres_1993,
-	Author = {Serrano-Andr\'es, Luis and Merch\'an, Manuela and Nebot-Gil, Ignacio and Lindh, Roland and Roos, Bj\"orn O.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.465071},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = feb,
-	Number = {4},
-	Pages = {3151-3162},
-	Shorttitle = {Towards an Accurate Molecular Orbital Theory for Excited States},
-	Title = {Towards an Accurate Molecular Orbital Theory for Excited States: {{Ethene}}, Butadiene, and Hexatriene},
-	Volume = {98},
-	Year = {1993},
+	author = {Serrano-Andr\'es, Luis and Merch\'an, Manuela and Nebot-Gil, Ignacio and Lindh, Roland and Roos, Bj\"orn O.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.465071},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = feb,
+	number = {4},
+	pages = {3151-3162},
+	shorttitle = {Towards an Accurate Molecular Orbital Theory for Excited States},
+	title = {Towards an Accurate Molecular Orbital Theory for Excited States: {{Ethene}}, Butadiene, and Hexatriene},
+	volume = {98},
+	year = {1993},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.465071}}
 
 @article{Shakeshaft_2007,
-	Author = {Shakeshaft, Robin},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.76.063405},
-	File = {/Users/loos/Zotero/storage/42RREI7A/Shakeshaft - 2007 - Two-photon single and double ionization of helium.pdf},
-	Issn = {1050-2947, 1094-1622},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = dec,
-	Number = {6},
-	Title = {Two-Photon Single and Double Ionization of Helium},
-	Volume = {76},
-	Year = {2007},
+	author = {Shakeshaft, Robin},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.76.063405},
+	file = {/Users/loos/Zotero/storage/42RREI7A/Shakeshaft - 2007 - Two-photon single and double ionization of helium.pdf},
+	issn = {1050-2947, 1094-1622},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = dec,
+	number = {6},
+	title = {Two-Photon Single and Double Ionization of Helium},
+	volume = {76},
+	year = {2007},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.76.063405}}
 
 @article{Shao_2003,
-	Author = {Shao, Yihan and {Head-Gordon}, Martin and Krylov, Anna I.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.1545679},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = mar,
-	Number = {11},
-	Pages = {4807-4818},
-	Shorttitle = {The Spin\textendash{}Flip Approach within Time-Dependent Density Functional Theory},
-	Title = {The Spin\textendash{}Flip Approach within Time-Dependent Density Functional Theory: {{Theory}} and Applications to Diradicals},
-	Volume = {118},
-	Year = {2003},
+	author = {Shao, Yihan and {Head-Gordon}, Martin and Krylov, Anna I.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.1545679},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = mar,
+	number = {11},
+	pages = {4807-4818},
+	shorttitle = {The Spin\textendash{}Flip Approach within Time-Dependent Density Functional Theory},
+	title = {The Spin\textendash{}Flip Approach within Time-Dependent Density Functional Theory: {{Theory}} and Applications to Diradicals},
+	volume = {118},
+	year = {2003},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1545679}}
 
 @article{Sharma_2015b,
-	Author = {Sharma, Sandeep},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4905237},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = jan,
-	Number = {2},
-	Pages = {024107},
-	Title = {A General Non-{{Abelian}} Density Matrix Renormalization Group Algorithm with Application to the {{C}} {\textsubscript{2}} Dimer},
-	Volume = {142},
-	Year = {2015},
+	author = {Sharma, Sandeep},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4905237},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = jan,
+	number = {2},
+	pages = {024107},
+	title = {A General Non-{{Abelian}} Density Matrix Renormalization Group Algorithm with Application to the {{C}} {\textsubscript{2}} Dimer},
+	volume = {142},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4905237}}
 
 @article{Sharma_2017,
-	Author = {Sharma, Sandeep and Holmes, Adam A. and Jeanmairet, Guillaume and Alavi, Ali and Umrigar, C. J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/acs.jctc.6b01028},
-	Issn = {1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Month = {Mar},
-	Number = {4},
-	Pages = {1595--1604},
-	Publisher = {American Chemical Society (ACS)},
-	Title = {Semistochastic Heat-Bath Configuration Interaction Method: Selected Configuration Interaction with Semistochastic Perturbation Theory},
-	Url = {http://dx.doi.org/10.1021/acs.jctc.6b01028},
-	Volume = {13},
-	Year = {2017},
+	author = {Sharma, Sandeep and Holmes, Adam A. and Jeanmairet, Guillaume and Alavi, Ali and Umrigar, C. J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/acs.jctc.6b01028},
+	issn = {1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	month = {Mar},
+	number = {4},
+	pages = {1595--1604},
+	publisher = {American Chemical Society (ACS)},
+	title = {Semistochastic Heat-Bath Configuration Interaction Method: Selected Configuration Interaction with Semistochastic Perturbation Theory},
+	url = {http://dx.doi.org/10.1021/acs.jctc.6b01028},
+	volume = {13},
+	year = {2017},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1021/acs.jctc.6b01028}}
 
 @article{Shea_2017,
-	Author = {Shea, Jacqueline A. R. and Neuscamman, Eric},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/acs.jctc.7b00923},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = dec,
-	Number = {12},
-	Pages = {6078-6088},
-	Title = {Size {{Consistent Excited States}} via {{Algorithmic Transformations}} between {{Variational Principles}}},
-	Volume = {13},
-	Year = {2017},
+	author = {Shea, Jacqueline A. R. and Neuscamman, Eric},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/acs.jctc.7b00923},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = dec,
+	number = {12},
+	pages = {6078-6088},
+	title = {Size {{Consistent Excited States}} via {{Algorithmic Transformations}} between {{Variational Principles}}},
+	volume = {13},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b00923}}
 
 @article{Shea_2018,
-	Author = {Shea, Jacqueline A. R. and Neuscamman, Eric},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.5045056},
-	File = {/Users/loos/Zotero/storage/7H7W9SRJ/Shea and Neuscamman - 2018 - Communication A mean field platform for excited s.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = aug,
-	Number = {8},
-	Pages = {081101},
-	Shorttitle = {Communication},
-	Title = {Communication: {{A}} Mean Field Platform for Excited State Quantum Chemistry},
-	Volume = {149},
-	Year = {2018},
+	author = {Shea, Jacqueline A. R. and Neuscamman, Eric},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.5045056},
+	file = {/Users/loos/Zotero/storage/7H7W9SRJ/Shea and Neuscamman - 2018 - Communication A mean field platform for excited s.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = aug,
+	number = {8},
+	pages = {081101},
+	shorttitle = {Communication},
+	title = {Communication: {{A}} Mean Field Platform for Excited State Quantum Chemistry},
+	volume = {149},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.5045056}}
 
 @article{Shen_2009b,
-	Author = {Jun Shen and Shuhua Li},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.3256297},
-	Journal = {J. Chem. Phys.},
-	Number = {17},
-	Pages = {174101},
-	Title = {Block Correlated Coupled Cluster Method with the Complete Active-Space Self-Consistent-Field Reference Function: Applications for Low-Lying Electronic Excited States},
-	Url = {https://doi.org/10.1063/1.3256297},
-	Volume = {131},
-	Year = {2009},
+	author = {Jun Shen and Shuhua Li},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.3256297},
+	journal = {J. Chem. Phys.},
+	number = {17},
+	pages = {174101},
+	title = {Block Correlated Coupled Cluster Method with the Complete Active-Space Self-Consistent-Field Reference Function: Applications for Low-Lying Electronic Excited States},
+	url = {https://doi.org/10.1063/1.3256297},
+	volume = {131},
+	year = {2009},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3256297}}
 
 @article{Shi_2011,
-	Author = {Shi, Deheng and Zhang, Xiaoniu and Sun, Jinfeng and Zhu, Zunlue},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1080/00268976.2011.564593},
-	Issn = {0026-8976, 1362-3028},
-	Journal = {Mol. Phys.},
-	Language = {en},
-	Month = jun,
-	Number = {11},
-	Pages = {1453-1465},
-	Title = {{{MRCI}} Study on Spectroscopic and Molecular Properties of {{B}} {\textsuperscript{1}} {{$\Delta$}} {\textsubscript{g}} , , {{C}} {\textsuperscript{1}} {{$\Pi$}} {\textsubscript{g}} , , and 1 {\textsuperscript{1}} {{$\Delta$}} {\textsubscript{u}} Electronic States of the {{C}} {\textsubscript{2}} Radical},
-	Volume = {109},
-	Year = {2011},
+	author = {Shi, Deheng and Zhang, Xiaoniu and Sun, Jinfeng and Zhu, Zunlue},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1080/00268976.2011.564593},
+	issn = {0026-8976, 1362-3028},
+	journal = {Mol. Phys.},
+	language = {en},
+	month = jun,
+	number = {11},
+	pages = {1453-1465},
+	title = {{{MRCI}} Study on Spectroscopic and Molecular Properties of {{B}} {\textsuperscript{1}} {{$\Delta$}} {\textsubscript{g}} , , {{C}} {\textsuperscript{1}} {{$\Pi$}} {\textsubscript{g}} , , and 1 {\textsuperscript{1}} {{$\Delta$}} {\textsubscript{u}} Electronic States of the {{C}} {\textsubscript{2}} Radical},
+	volume = {109},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1080/00268976.2011.564593}}
 
 @article{Shu_2017,
-	Author = {Shu, Yinan and Truhlar, Donald G.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/jacs.7b06283},
-	Issn = {0002-7863, 1520-5126},
-	Journal = {J. Am. Chem. Soc.},
-	Language = {en},
-	Month = oct,
-	Number = {39},
-	Pages = {13770-13778},
-	Title = {Doubly {{Excited Character}} or {{Static Correlation}} of the {{Reference State}} in the {{Controversial}} 2 {\textsuperscript{1}} {{A}} {\textsubscript{g}} {{State}} of {\emph{Trans}} -{{Butadiene}}?},
-	Volume = {139},
-	Year = {2017},
+	author = {Shu, Yinan and Truhlar, Donald G.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/jacs.7b06283},
+	issn = {0002-7863, 1520-5126},
+	journal = {J. Am. Chem. Soc.},
+	language = {en},
+	month = oct,
+	number = {39},
+	pages = {13770-13778},
+	title = {Doubly {{Excited Character}} or {{Static Correlation}} of the {{Reference State}} in the {{Controversial}} 2 {\textsuperscript{1}} {{A}} {\textsubscript{g}} {{State}} of {\emph{Trans}} -{{Butadiene}}?},
+	volume = {139},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1021/jacs.7b06283}}
 
 @article{Siebbeles_2010,
-	Author = {Siebbeles, Laurens D. A.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1038/nchem.720},
-	File = {/Users/loos/Zotero/storage/MEHX8KLF/Siebbeles - 2010 - Two electrons from one photon Organic solar cells.pdf},
-	Issn = {1755-4330, 1755-4349},
-	Journal = {Nat. Chem.},
-	Language = {en},
-	Month = aug,
-	Number = {8},
-	Pages = {608-609},
-	Shorttitle = {Two Electrons from One Photon},
-	Title = {Two Electrons from One Photon: {{Organic}} Solar Cells},
-	Volume = {2},
-	Year = {2010},
+	author = {Siebbeles, Laurens D. A.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1038/nchem.720},
+	file = {/Users/loos/Zotero/storage/MEHX8KLF/Siebbeles - 2010 - Two electrons from one photon Organic solar cells.pdf},
+	issn = {1755-4330, 1755-4349},
+	journal = {Nat. Chem.},
+	language = {en},
+	month = aug,
+	number = {8},
+	pages = {608-609},
+	shorttitle = {Two Electrons from One Photon},
+	title = {Two Electrons from One Photon: {{Organic}} Solar Cells},
+	volume = {2},
+	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1038/nchem.720}}
 
 @article{Silva-Junior_2008,
-	Author = {Silva-Junior, M. R. and Schreiber, M. and Sauer, S. P. A. and Thiel, W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-06-01 08:12:42 +0200},
-	Journal = {J. Chem. Phys.},
-	Pages = {104103},
-	Title = {Benchmarks for Electronically Excited States: Time-Dependent Density Functional Theory and Density Functional Theory Based Multireference Configuration Interaction},
-	Volume = 129,
-	Year = 2008}
+	author = {Silva-Junior, M. R. and Schreiber, M. and Sauer, S. P. A. and Thiel, W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-06-01 08:12:42 +0200},
+	journal = {J. Chem. Phys.},
+	pages = {104103},
+	title = {Benchmarks for Electronically Excited States: Time-Dependent Density Functional Theory and Density Functional Theory Based Multireference Configuration Interaction},
+	volume = 129,
+	year = 2008}
 
 @article{Silva-Junior_2010c,
-	Author = {Silva-Junior, M. R. and Schreiber, M. and Sauer, S. P. A. and Thiel, W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {J. Chem. Phys.},
-	Pages = {174318},
-	Title = {Benchmarks of Electronically Excited States: Basis Set Effecs Benchmarks of Electronically Excited States: Basis Set Effects on CASPT2 Results},
-	Volume = 133,
-	Year = 2010}
+	author = {Silva-Junior, M. R. and Schreiber, M. and Sauer, S. P. A. and Thiel, W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {J. Chem. Phys.},
+	pages = {174318},
+	title = {Benchmarks of Electronically Excited States: Basis Set Effecs Benchmarks of Electronically Excited States: Basis Set Effects on CASPT2 Results},
+	volume = 133,
+	year = 2010}
 
 @article{Smith_2016,
-	Author = {Smith, J. C. and {Pribram-Jones}, A. and Burke, K.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevB.93.245131},
-	File = {/Users/loos/Zotero/storage/QI89EFQI/Smith et al. - 2016 - Exact thermal density functional theory for a mode.pdf},
-	Issn = {2469-9950, 2469-9969},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = jun,
-	Number = {24},
-	Pages = {245131},
-	Shorttitle = {Exact Thermal Density Functional Theory for a Model System},
-	Title = {Exact Thermal Density Functional Theory for a Model System: {{Correlation}} Components and Accuracy of the Zero-Temperature Exchange-Correlation Approximation},
-	Volume = {93},
-	Year = {2016},
+	author = {Smith, J. C. and {Pribram-Jones}, A. and Burke, K.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevB.93.245131},
+	file = {/Users/loos/Zotero/storage/QI89EFQI/Smith et al. - 2016 - Exact thermal density functional theory for a mode.pdf},
+	issn = {2469-9950, 2469-9969},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = jun,
+	number = {24},
+	pages = {245131},
+	shorttitle = {Exact Thermal Density Functional Theory for a Model System},
+	title = {Exact Thermal Density Functional Theory for a Model System: {{Correlation}} Components and Accuracy of the Zero-Temperature Exchange-Correlation Approximation},
+	volume = {93},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.93.245131}}
 
 @article{Sobolewski_2003,
-	Author = {Sobolewski, Andrzej L. and Domcke, Wolfgang},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/S0301-0104(03)00388-4},
-	Issn = {03010104},
-	Journal = {Chem. Phys.},
-	Language = {en},
-	Month = oct,
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-	Pages = {73-83},
-	Title = {Ab Initio Study of the Excited-State Coupled Electron\textendash{}Proton-Transfer Process in the 2-Aminopyridine Dimer},
-	Volume = {294},
-	Year = {2003},
+	author = {Sobolewski, Andrzej L. and Domcke, Wolfgang},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/S0301-0104(03)00388-4},
+	issn = {03010104},
+	journal = {Chem. Phys.},
+	language = {en},
+	month = oct,
+	number = {1},
+	pages = {73-83},
+	title = {Ab Initio Study of the Excited-State Coupled Electron\textendash{}Proton-Transfer Process in the 2-Aminopyridine Dimer},
+	volume = {294},
+	year = {2003},
 	Bdsk-Url-1 = {https://doi.org/10.1016/S0301-0104(03)00388-4}}
 
 @article{Sokolov_2016a,
-	Author = {Sokolov, Alexander Yu. and Chan, Garnet Kin-Lic},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4941606},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {The Journal of Chemical Physics},
-	Language = {en},
-	Month = feb,
-	Number = {6},
-	Pages = {064102},
-	Title = {A Time-Dependent Formulation of Multi-Reference Perturbation Theory},
-	Volume = {144},
-	Year = {2016},
+	author = {Sokolov, Alexander Yu. and Chan, Garnet Kin-Lic},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4941606},
+	issn = {0021-9606, 1089-7690},
+	journal = {The Journal of Chemical Physics},
+	language = {en},
+	month = feb,
+	number = {6},
+	pages = {064102},
+	title = {A Time-Dependent Formulation of Multi-Reference Perturbation Theory},
+	volume = {144},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4941606}}
 
 @article{Sokolova_2000,
-	Author = {Sokolova, Svetlana and L{\"u}chow, Arne},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
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-	Pages = {421--424},
-	Publisher = {Elsevier BV},
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-	Url = {http://dx.doi.org/10.1016/S0009-2614(00)00276-1},
-	Volume = {320},
-	Year = {2000},
+	author = {Sokolova, Svetlana and L{\"u}chow, Arne},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/s0009-2614(00)00276-1},
+	issn = {0009-2614},
+	journal = {Chem. Phys. Lett.},
+	month = {Apr},
+	number = {5-6},
+	pages = {421--424},
+	publisher = {Elsevier BV},
+	title = {An ab initio study of TiC with the diffusion quantum Monte Carlo method},
+	url = {http://dx.doi.org/10.1016/S0009-2614(00)00276-1},
+	volume = {320},
+	year = {2000},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1016/S0009-2614(00)00276-1},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1016/s0009-2614(00)00276-1}}
 
 @article{Starcke_2006,
-	Author = {Starcke, Jan Hendrik and Wormit, Michael and Schirmer, Jochen and Dreuw, Andreas},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/j.chemphys.2006.07.020},
-	File = {/Users/loos/Zotero/storage/63GHMKVQ/Starcke et al. - 2006 - How much double excitation character do the lowest.pdf},
-	Issn = {03010104},
-	Journal = {Chem. Phys.},
-	Language = {en},
-	Month = oct,
-	Number = {1-3},
-	Pages = {39-49},
-	Title = {How Much Double Excitation Character Do the Lowest Excited States of Linear Polyenes Have?},
-	Volume = {329},
-	Year = {2006},
+	author = {Starcke, Jan Hendrik and Wormit, Michael and Schirmer, Jochen and Dreuw, Andreas},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/j.chemphys.2006.07.020},
+	file = {/Users/loos/Zotero/storage/63GHMKVQ/Starcke et al. - 2006 - How much double excitation character do the lowest.pdf},
+	issn = {03010104},
+	journal = {Chem. Phys.},
+	language = {en},
+	month = oct,
+	number = {1-3},
+	pages = {39-49},
+	title = {How Much Double Excitation Character Do the Lowest Excited States of Linear Polyenes Have?},
+	volume = {329},
+	year = {2006},
 	Bdsk-Url-1 = {https://doi.org/10.1016/j.chemphys.2006.07.020}}
 
 @article{Steinmann_2013,
-	Author = {Steinmann, Stephan N. and Yang, Weitao},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4817849},
-	File = {/Users/loos/Zotero/storage/TTITC4WH/Steinmann and Yang - 2013 - Wave function methods for fractional electrons.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = aug,
-	Number = {7},
-	Pages = {074107},
-	Title = {Wave Function Methods for Fractional Electrons},
-	Volume = {139},
-	Year = {2013},
+	author = {Steinmann, Stephan N. and Yang, Weitao},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4817849},
+	file = {/Users/loos/Zotero/storage/TTITC4WH/Steinmann and Yang - 2013 - Wave function methods for fractional electrons.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = aug,
+	number = {7},
+	pages = {074107},
+	title = {Wave Function Methods for Fractional Electrons},
+	volume = {139},
+	year = {2013},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4817849}}
 
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-	Author = {Stiefel, Edward I.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
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-	Title = {Transition Metal Sulfur Chemistry: Biological and Industrial Significance and Key Trends},
-	Url = {http://dx.doi.org/10.1021/bk-1996-0653.ch001},
-	Year = {1996},
+	author = {Stiefel, Edward I.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/bk-1996-0653.ch001},
+	isbn = {0841216029},
+	issn = {1947-5918},
+	journal = {Trans. Metal Sulfur Chem.},
+	month = {Nov},
+	pages = {2--38},
+	publisher = {American Chemical Society},
+	title = {Transition Metal Sulfur Chemistry: Biological and Industrial Significance and Key Trends},
+	url = {http://dx.doi.org/10.1021/bk-1996-0653.ch001},
+	year = {1996},
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 @article{Stopkowicz_2015,
-	Author = {S. Stopkowicz and J. Gauss and K. K. Lange and E. I. Tellgren and T. Helgaker},
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+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {J. Chem. Phys.},
+	pages = {074110},
+	volume = {143},
+	year = {2015}}
 
 @article{Strodel_2002,
-	Author = {Strodel, Paul and Tavan, Paul},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
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-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
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-	Title = {A Revised {{MRCI}}-Algorithm Coupled to an Effective Valence-Shell {{Hamiltonian}}. {{II}}. {{Application}} to the Valence Excitations of Butadiene},
-	Volume = {117},
-	Year = {2002},
+	author = {Strodel, Paul and Tavan, Paul},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.1497678},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = sep,
+	number = {10},
+	pages = {4677-4683},
+	title = {A Revised {{MRCI}}-Algorithm Coupled to an Effective Valence-Shell {{Hamiltonian}}. {{II}}. {{Application}} to the Valence Excitations of Butadiene},
+	volume = {117},
+	year = {2002},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1497678}}
 
 @article{Su_2011,
-	Author = {Su, Peifeng and Wu, Jifang and Gu, Junjing and Wu, Wei and Shaik, Sason and Hiberty, Philippe C.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
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-	Journal = {J. Chem. Theory Comput.},
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-	Title = {Bonding {{Conundrums}} in the {{C}} {\textsubscript{2}} {{Molecule}}: {{A Valence Bond Study}}},
-	Volume = {7},
-	Year = {2011},
+	author = {Su, Peifeng and Wu, Jifang and Gu, Junjing and Wu, Wei and Shaik, Sason and Hiberty, Philippe C.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/ct100577v},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = jan,
+	number = {1},
+	pages = {121-130},
+	shorttitle = {Bonding {{Conundrums}} in the {{C}} {\textsubscript{2}} {{Molecule}}},
+	title = {Bonding {{Conundrums}} in the {{C}} {\textsubscript{2}} {{Molecule}}: {{A Valence Bond Study}}},
+	volume = {7},
+	year = {2011},
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 @article{Sundstrom_2014,
-	Author = {Sundstrom, Eric J. and {Head-Gordon}, Martin},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
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-	Title = {Non-Orthogonal Configuration Interaction for the Calculation of Multielectron Excited States},
-	Volume = {140},
-	Year = {2014},
+	author = {Sundstrom, Eric J. and {Head-Gordon}, Martin},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4868120},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = mar,
+	number = {11},
+	pages = {114103},
+	title = {Non-Orthogonal Configuration Interaction for the Calculation of Multielectron Excited States},
+	volume = {140},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4868120}}
 
 @book{SzaboBook,
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-	Date-Added = {2020-01-01 21:36:51 +0100},
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-	Publisher = {McGraw-Hill},
-	Title = {Modern quantum chemistry},
-	Year = {1989}}
+	address = {New York},
+	author = {A. Szabo and N. S. Ostlund},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	keywords = {qmech},
+	publisher = {McGraw-Hill},
+	title = {Modern quantum chemistry},
+	year = {1989}}
 
 @article{Szalay_1990,
-	Author = {Szalay, P. G. and Cs\'asz\'ar, A. G. and Fogarasi, G. and Karpfen, A. and Lischka, H.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
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-	Volume = {93},
-	Year = {1990},
+	author = {Szalay, P. G. and Cs\'asz\'ar, A. G. and Fogarasi, G. and Karpfen, A. and Lischka, H.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.459189},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = jul,
+	number = {2},
+	pages = {1246-1256},
+	title = {An {\emph{a}} {\emph{b}} {\emph{i}} {\emph{n}} {\emph{i}} {\emph{t}} {\emph{i}} {\emph{o}} Study of the Structure and Vibrational Spectra of Allyl and 1,4-pentadienyl Radicals},
+	volume = {93},
+	year = {1990},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.459189}}
 
 @article{Takahashi_1986,
-	Author = {Takahashi, M. and Paldus, J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
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-	Pages = {1486-1501},
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-	Title = {Time-dependent Coupled Cluster Approach: {{Excitation}} Energy Calculation Using an Orthogonally Spin-adapted Formalism},
-	Volume = {85},
-	Year = {1986},
+	author = {Takahashi, M. and Paldus, J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.451241},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = aug,
+	number = {3},
+	pages = {1486-1501},
+	shorttitle = {Time-dependent Coupled Cluster Approach},
+	title = {Time-dependent Coupled Cluster Approach: {{Excitation}} Energy Calculation Using an Orthogonally Spin-adapted Formalism},
+	volume = {85},
+	year = {1986},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.451241}}
 
 @article{Takano_2004,
-	Author = {Takano, Shuro and Yamamoto, Satoshi and Saito, Shuji},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
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-	Publisher = {Elsevier BV},
-	Title = {The microwave spectrum of the FeS radical},
-	Url = {http://dx.doi.org/10.1016/j.jms.2004.01.003},
-	Volume = {224},
-	Year = {2004},
+	author = {Takano, Shuro and Yamamoto, Satoshi and Saito, Shuji},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/j.jms.2004.01.003},
+	issn = {0022-2852},
+	journal = {J. Mol. Spec.},
+	month = {Apr},
+	number = {2},
+	pages = {137--144},
+	publisher = {Elsevier BV},
+	title = {The microwave spectrum of the FeS radical},
+	url = {http://dx.doi.org/10.1016/j.jms.2004.01.003},
+	volume = {224},
+	year = {2004},
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 @article{Tapavicza_2008,
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-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
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-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
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-	Month = sep,
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-	Pages = {124108},
-	Title = {Mixed Time-Dependent Density-Functional Theory/Classical Trajectory Surface Hopping Study of Oxirane Photochemistry},
-	Volume = {129},
-	Year = {2008},
+	author = {Tapavicza, Enrico and Tavernelli, Ivano and Rothlisberger, Ursula and Filippi, Claudia and Casida, Mark E.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.2978380},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = sep,
+	number = {12},
+	pages = {124108},
+	title = {Mixed Time-Dependent Density-Functional Theory/Classical Trajectory Surface Hopping Study of Oxirane Photochemistry},
+	volume = {129},
+	year = {2008},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.2978380}}
 
 @article{Tarte_1954,
-	Author = {Tarte, P.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
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-	Pages = {525--541},
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-	Volume = 63,
-	Year = 1954}
+	author = {Tarte, P.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Bull. Soc. Chim. Belg.},
+	pages = {525--541},
+	title = {Recherches Spectroscopiques sur les Compos\'es Nitros\'es},
+	volume = 63,
+	year = 1954}
 
 @article{Tawada_2004,
-	Author = {Tawada, Yoshihiro and Tsuneda, Takao and Yanagisawa, Susumu and Yanai, Takeshi and Hirao, Kimihiko},
-	Date-Added = {2020-01-01 21:36:51 +0100},
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-	Doi = {10.1063/1.1688752},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = may,
-	Number = {18},
-	Pages = {8425-8433},
-	Title = {A Long-Range-Corrected Time-Dependent Density Functional Theory},
-	Volume = {120},
-	Year = {2004},
+	author = {Tawada, Yoshihiro and Tsuneda, Takao and Yanagisawa, Susumu and Yanai, Takeshi and Hirao, Kimihiko},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.1688752},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = may,
+	number = {18},
+	pages = {8425-8433},
+	title = {A Long-Range-Corrected Time-Dependent Density Functional Theory},
+	volume = {120},
+	year = {2004},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1688752}}
 
 @article{Tellgren_2008,
-	Author = {E. I. Tellgren and A. Soncini and T. Helgaker},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {J. Chem. Phys.},
-	Pages = {154114},
-	Volume = {129},
-	Year = {2008}}
+	author = {E. I. Tellgren and A. Soncini and T. Helgaker},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {J. Chem. Phys.},
+	pages = {154114},
+	volume = {129},
+	year = {2008}}
 
 @article{Tellgren_2009,
-	Author = {E. I. Tellgren and T. Helgaker and A. Soncini},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Phys. Chem. Chem. Phys..},
-	Pages = {5489},
-	Volume = {11},
-	Year = {2009}}
+	author = {E. I. Tellgren and T. Helgaker and A. Soncini},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Phys. Chem. Chem. Phys..},
+	pages = {5489},
+	volume = {11},
+	year = {2009}}
 
 @article{Theophilou_1979,
-	Abstract = {In this paper it is shown that the density can be used as the basic variable for calculating the properties of excited states. The correspondence is not between an eigenstate and its density, as is the case with the ground state, but between the subspace spanned by the number of lowest-energy eigenstates and the sum of their densities. An extension of the Hohenberg-Kohn-Sham theory for excited states has also been developed. The equations derived are similar in form to those for the ground-state density but the interpretation is different. The lowest-order approximation of the present theory coincides with Slater's `transition-state' theory.},
-	Author = {Theophilou, A K},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1088/0022-3719/12/24/013},
-	File = {/Users/loos/Zotero/storage/BKC3FYW9/Theophilou - 1979 - The energy density functional formalism for excite.pdf},
-	Issn = {0022-3719},
-	Journal = {J. Phys. C},
-	Language = {en},
-	Month = dec,
-	Number = {24},
-	Pages = {5419-5430},
-	Title = {The Energy Density Functional Formalism for Excited States},
-	Volume = {12},
-	Year = {1979},
+	abstract = {In this paper it is shown that the density can be used as the basic variable for calculating the properties of excited states. The correspondence is not between an eigenstate and its density, as is the case with the ground state, but between the subspace spanned by the number of lowest-energy eigenstates and the sum of their densities. An extension of the Hohenberg-Kohn-Sham theory for excited states has also been developed. The equations derived are similar in form to those for the ground-state density but the interpretation is different. The lowest-order approximation of the present theory coincides with Slater's `transition-state' theory.},
+	author = {Theophilou, A K},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1088/0022-3719/12/24/013},
+	file = {/Users/loos/Zotero/storage/BKC3FYW9/Theophilou - 1979 - The energy density functional formalism for excite.pdf},
+	issn = {0022-3719},
+	journal = {J. Phys. C},
+	language = {en},
+	month = dec,
+	number = {24},
+	pages = {5419-5430},
+	title = {The Energy Density Functional Formalism for Excited States},
+	volume = {12},
+	year = {1979},
 	Bdsk-Url-1 = {https://doi.org/10.1088/0022-3719/12/24/013}}
 
 @article{Theophilou_1979a,
-	Abstract = {In this paper it is shown that the density can be used as the basic variable for calculating the properties of excited states. The correspondence is not between an eigenstate and its density, as is the case with the ground state, but between the subspace spanned by the number of lowest-energy eigenstates and the sum of their densities. An extension of the Hohenberg-Kohn-Sham theory for excited states has also been developed. The equations derived are similar in form to those for the ground-state density but the interpretation is different. The lowest-order approximation of the present theory coincides with Slater's `transition-state' theory.},
-	Author = {Theophilou, A K},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1088/0022-3719/12/24/013},
-	File = {/Users/loos/Zotero/storage/E5Y224GW/Theophilou - 1979 - The energy density functional formalism for excite.pdf},
-	Issn = {0022-3719},
-	Journal = {J. Phys. C Solid State Phys.},
-	Language = {en},
-	Month = dec,
-	Number = {24},
-	Pages = {5419-5430},
-	Title = {The Energy Density Functional Formalism for Excited States},
-	Volume = {12},
-	Year = {1979},
+	abstract = {In this paper it is shown that the density can be used as the basic variable for calculating the properties of excited states. The correspondence is not between an eigenstate and its density, as is the case with the ground state, but between the subspace spanned by the number of lowest-energy eigenstates and the sum of their densities. An extension of the Hohenberg-Kohn-Sham theory for excited states has also been developed. The equations derived are similar in form to those for the ground-state density but the interpretation is different. The lowest-order approximation of the present theory coincides with Slater's `transition-state' theory.},
+	author = {Theophilou, A K},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1088/0022-3719/12/24/013},
+	file = {/Users/loos/Zotero/storage/E5Y224GW/Theophilou - 1979 - The energy density functional formalism for excite.pdf},
+	issn = {0022-3719},
+	journal = {J. Phys. C Solid State Phys.},
+	language = {en},
+	month = dec,
+	number = {24},
+	pages = {5419-5430},
+	title = {The Energy Density Functional Formalism for Excited States},
+	volume = {12},
+	year = {1979},
 	Bdsk-Url-1 = {https://doi.org/10.1088/0022-3719/12/24/013}}
 
 @article{Theophilou_2018,
-	Author = {Theophilou, Andreas K.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.5038262},
-	File = {/Users/loos/Zotero/storage/3IRI7ZW8/Theophilou - 2018 - A novel density functional theory for atoms, molec.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = aug,
-	Number = {7},
-	Pages = {074104},
-	Title = {A Novel Density Functional Theory for Atoms, Molecules, and Solids},
-	Volume = {149},
-	Year = {2018},
+	author = {Theophilou, Andreas K.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.5038262},
+	file = {/Users/loos/Zotero/storage/3IRI7ZW8/Theophilou - 2018 - A novel density functional theory for atoms, molec.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = aug,
+	number = {7},
+	pages = {074104},
+	title = {A Novel Density Functional Theory for Atoms, Molecules, and Solids},
+	volume = {149},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.5038262}}
 
 @article{Tognetti_2016,
-	Author = {Tognetti, Vincent and Loos, Pierre-Fran{\c c}ois},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4940919},
-	File = {/Users/loos/Zotero/storage/B35RYULA/48.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = feb,
-	Number = {5},
-	Pages = {054108},
-	Title = {Natural Occupation Numbers in Two-Electron Quantum Rings},
-	Volume = {144},
-	Year = {2016},
+	author = {Tognetti, Vincent and Loos, Pierre-Fran{\c c}ois},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4940919},
+	file = {/Users/loos/Zotero/storage/B35RYULA/48.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = feb,
+	number = {5},
+	pages = {054108},
+	title = {Natural Occupation Numbers in Two-Electron Quantum Rings},
+	volume = {144},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4940919}}
 
 @article{Toulouse_2007,
-	Author = {Toulouse, Julien and Umrigar, C. J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.2437215},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Feb},
-	Number = {8},
-	Pages = {084102},
-	Publisher = {AIP Publishing},
-	Title = {Optimization of quantum Monte Carlo wave functions by energy minimization},
-	Url = {http://dx.doi.org/10.1063/1.2437215},
-	Volume = {126},
-	Year = {2007},
+	author = {Toulouse, Julien and Umrigar, C. J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.2437215},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Feb},
+	number = {8},
+	pages = {084102},
+	publisher = {AIP Publishing},
+	title = {Optimization of quantum Monte Carlo wave functions by energy minimization},
+	url = {http://dx.doi.org/10.1063/1.2437215},
+	volume = {126},
+	year = {2007},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.2437215}}
 
 @article{Toulouse_2008,
-	Author = {Toulouse, Julien and Umrigar, C. J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.2908237},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = may,
-	Number = {17},
-	Pages = {174101},
-	Title = {Full Optimization of {{Jastrow}}\textendash{{Slater}} Wave Functions with Application to the First-Row Atoms and Homonuclear Diatomic Molecules},
-	Volume = {128},
-	Year = {2008},
+	author = {Toulouse, Julien and Umrigar, C. J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.2908237},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = may,
+	number = {17},
+	pages = {174101},
+	title = {Full Optimization of {{Jastrow}}\textendash{{Slater}} Wave Functions with Application to the First-Row Atoms and Homonuclear Diatomic Molecules},
+	volume = {128},
+	year = {2008},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.2908237}}
 
 @article{Trail_2015,
-	Author = {J. R. Trail and R. J. Needs},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4907589},
-	Journal = {J. Chem. Phys.},
-	Number = {6},
-	Pages = {064110},
-	Title = {Correlated electron pseudopotentials for 3d-transition metals},
-	Url = {https://doi.org/10.1063/1.4907589},
-	Volume = {142},
-	Year = {2015},
+	author = {J. R. Trail and R. J. Needs},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4907589},
+	journal = {J. Chem. Phys.},
+	number = {6},
+	pages = {064110},
+	title = {Correlated electron pseudopotentials for 3d-transition metals},
+	url = {https://doi.org/10.1063/1.4907589},
+	volume = {142},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4907589},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.4907589}}
 
 @article{Troyer_2005,
-	Author = {M. Troyer and U.-J. Wiese},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Phys. Rev. Lett.},
-	Pages = {170201},
-	Volume = {94},
-	Year = {2005}}
+	author = {M. Troyer and U.-J. Wiese},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Phys. Rev. Lett.},
+	pages = {170201},
+	volume = {94},
+	year = {2005}}
 
 @article{Tuna_2015,
-	Author = {Tuna, Deniz and Lefrancois, Daniel and Wola\'nski, \L{}ukasz and Gozem, Samer and Schapiro, Igor and Andruni\'ow, Tadeusz and Dreuw, Andreas and Olivucci, Massimo},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/acs.jctc.5b00022},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = dec,
-	Number = {12},
-	Pages = {5758-5781},
-	Title = {Assessment of {{Approximate Coupled}}-{{Cluster}} and {{Algebraic}}-{{Diagrammatic}}-{{Construction Methods}} for {{Ground}}- and {{Excited}}-{{State Reaction Paths}} and the {{Conical}}-{{Intersection Seam}} of a {{Retinal}}-{{Chromophore Model}}},
-	Volume = {11},
-	Year = {2015},
+	author = {Tuna, Deniz and Lefrancois, Daniel and Wola\'nski, \L{}ukasz and Gozem, Samer and Schapiro, Igor and Andruni\'ow, Tadeusz and Dreuw, Andreas and Olivucci, Massimo},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/acs.jctc.5b00022},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = dec,
+	number = {12},
+	pages = {5758-5781},
+	title = {Assessment of {{Approximate Coupled}}-{{Cluster}} and {{Algebraic}}-{{Diagrammatic}}-{{Construction Methods}} for {{Ground}}- and {{Excited}}-{{State Reaction Paths}} and the {{Conical}}-{{Intersection Seam}} of a {{Retinal}}-{{Chromophore Model}}},
+	volume = {11},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.5b00022}}
 
 @book{Ulrich_2012,
-	Address = {New York},
-	Author = {Ullrich, C.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Publisher = {Oxford University Press},
-	Series = {Oxford Graduate Texts},
-	Title = {Time-Dependent Density-Functional Theory: Concepts and Applications},
-	Year = {2012}}
+	address = {New York},
+	author = {Ullrich, C.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	publisher = {Oxford University Press},
+	series = {Oxford Graduate Texts},
+	title = {Time-Dependent Density-Functional Theory: Concepts and Applications},
+	year = {2012}}
 
 @inbook{Umrigar_1999,
-	Author = {C. J. Umrigar},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Editor = {M. P. Nightingale and C. J. Umrigar},
-	Pages = {129-160},
-	Publisher = {Kluwer Academic Press, Dordrecht},
-	Series = {NATO Science Series},
-	Title = {Quantum Monte Carlo Methods in Physics and Chemistry},
-	Year = {1999}}
+	author = {C. J. Umrigar},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	editor = {M. P. Nightingale and C. J. Umrigar},
+	pages = {129-160},
+	publisher = {Kluwer Academic Press, Dordrecht},
+	series = {NATO Science Series},
+	title = {Quantum Monte Carlo Methods in Physics and Chemistry},
+	year = {1999}}
 
 @article{Umrigar_2005,
-	Author = {Umrigar, C. J. and Filippi, Claudia},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/physrevlett.94.150201},
-	Issn = {1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Apr},
-	Number = {15},
-	Pages = {150201},
-	Publisher = {American Physical Society (APS)},
-	Title = {Energy and Variance Optimization of Many-Body Wave Functions},
-	Url = {http://dx.doi.org/10.1103/PhysRevLett.94.150201},
-	Volume = {94},
-	Year = {2005},
+	author = {Umrigar, C. J. and Filippi, Claudia},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/physrevlett.94.150201},
+	issn = {1079-7114},
+	journal = {Phys. Rev. Lett.},
+	month = {Apr},
+	number = {15},
+	pages = {150201},
+	publisher = {American Physical Society (APS)},
+	title = {Energy and Variance Optimization of Many-Body Wave Functions},
+	url = {http://dx.doi.org/10.1103/PhysRevLett.94.150201},
+	volume = {94},
+	year = {2005},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevLett.94.150201},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1103/physrevlett.94.150201}}
 
 @article{Umrigar_2007,
-	Author = {Umrigar, C. J. and Toulouse, Julien and Filippi, Claudia and Sorella, S. and Hennig, R. G.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/physrevlett.98.110201},
-	Issn = {1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Mar},
-	Number = {11},
-	Pages = {110201},
-	Publisher = {American Physical Society (APS)},
-	Title = {Alleviation of the Fermion-Sign Problem by Optimization of Many-Body Wave Functions},
-	Url = {http://dx.doi.org/10.1103/PhysRevLett.98.110201},
-	Volume = {98},
-	Year = {2007},
+	author = {Umrigar, C. J. and Toulouse, Julien and Filippi, Claudia and Sorella, S. and Hennig, R. G.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/physrevlett.98.110201},
+	issn = {1079-7114},
+	journal = {Phys. Rev. Lett.},
+	month = {Mar},
+	number = {11},
+	pages = {110201},
+	publisher = {American Physical Society (APS)},
+	title = {Alleviation of the Fermion-Sign Problem by Optimization of Many-Body Wave Functions},
+	url = {http://dx.doi.org/10.1103/PhysRevLett.98.110201},
+	volume = {98},
+	year = {2007},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1103/PhysRevLett.98.110201},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1103/physrevlett.98.110201}}
 
 @article{Valone_1980,
-	Author = {Valone, Steven M.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.440656},
-	File = {/Users/loos/Zotero/storage/8IEEMICU/Valone - 1980 - A one‐to‐one mapping between one‐particle densitie.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = nov,
-	Number = {9},
-	Pages = {4653-4655},
-	Title = {A One-to-one Mapping between One-particle Densities and Some {\emph{n}} -particle Ensembles},
-	Volume = {73},
-	Year = {1980},
+	author = {Valone, Steven M.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.440656},
+	file = {/Users/loos/Zotero/storage/8IEEMICU/Valone - 1980 - A one‐to‐one mapping between one‐particle densitie.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = nov,
+	number = {9},
+	pages = {4653-4655},
+	title = {A One-to-one Mapping between One-particle Densities and Some {\emph{n}} -particle Ensembles},
+	volume = {73},
+	year = {1980},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.440656}}
 
 @article{VanderLugt_1969,
-	Author = {{Van der Lugt}, W. Th. A. M. and Oosterhoff, Luitzen J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/ja01050a019},
-	Issn = {0002-7863},
-	Journal = {Journal of the American Chemical Society},
-	Language = {en},
-	Month = oct,
-	Number = {22},
-	Pages = {6042-6049},
-	Title = {Symmetry Control and Photoinduced Reactions},
-	Volume = {91},
-	Year = {1969},
+	author = {{Van der Lugt}, W. Th. A. M. and Oosterhoff, Luitzen J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/ja01050a019},
+	issn = {0002-7863},
+	journal = {Journal of the American Chemical Society},
+	language = {en},
+	month = oct,
+	number = {22},
+	pages = {6042-6049},
+	title = {Symmetry Control and Photoinduced Reactions},
+	volume = {91},
+	year = {1969},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ja01050a019}}
 
 @article{vanFaassen_2002,
-	Author = {{van Faassen}, M. and {de Boeij}, P. L. and {van Leeuwen}, R. and Berger, J. A. and Snijders, J. G.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.88.186401},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = apr,
-	Number = {18},
-	Shorttitle = {Ultranonlocality in {{Time}}-{{Dependent Current}}-{{Density}}-{{Functional Theory}}},
-	Title = {Ultranonlocality in {{Time}}-{{Dependent Current}}-{{Density}}-{{Functional Theory}}: {{Application}} to {{Conjugated Polymers}}},
-	Volume = {88},
-	Year = {2002},
+	author = {{van Faassen}, M. and {de Boeij}, P. L. and {van Leeuwen}, R. and Berger, J. A. and Snijders, J. G.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.88.186401},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = apr,
+	number = {18},
+	shorttitle = {Ultranonlocality in {{Time}}-{{Dependent Current}}-{{Density}}-{{Functional Theory}}},
+	title = {Ultranonlocality in {{Time}}-{{Dependent Current}}-{{Density}}-{{Functional Theory}}: {{Application}} to {{Conjugated Polymers}}},
+	volume = {88},
+	year = {2002},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.88.186401}}
 
 @article{Vanzini_2018,
-	Abstract = {The spectral potential is the dynamical generalization of the Kohn\textendash{}Sham potential. It targets, in principle exactly, the spectral function in addition to the electronic density. Here we examine the spectral potential in one of the simplest solvable models exhibiting a non-trivial interplay between electron-electron interaction and inhomogeneity, namely the asymmetric Hubbard dimer. We discuss a general strategy to introduce approximations, which consists in calculating the spectral potential in the homogeneous limit (here represented by the symmetric Hubbard dimer) and importing it in the real inhomogeneous system through a suitable ``connector''. The comparison of different levels of approximation to the spectral potential with the exact solution of the asymmetric Hubbard dimer gives insights about the advantages and the difficulties of this connector strategy for applications in real materials.},
-	Author = {Vanzini, Marco and Reining, Lucia and Gatti, Matteo},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1140/epjb/e2018-90277-3},
-	File = {/Users/loos/Zotero/storage/98HZJ25E/Vanzini et al. - 2018 - Spectroscopy of the Hubbard dimer the spectral po.pdf},
-	Issn = {1434-6028, 1434-6036},
-	Journal = {Eur. Phys. J. B},
-	Language = {en},
-	Month = aug,
-	Number = {8},
-	Shorttitle = {Spectroscopy of the {{Hubbard}} Dimer},
-	Title = {Spectroscopy of the {{Hubbard}} Dimer: The Spectral Potential},
-	Volume = {91},
-	Year = {2018},
+	abstract = {The spectral potential is the dynamical generalization of the Kohn\textendash{}Sham potential. It targets, in principle exactly, the spectral function in addition to the electronic density. Here we examine the spectral potential in one of the simplest solvable models exhibiting a non-trivial interplay between electron-electron interaction and inhomogeneity, namely the asymmetric Hubbard dimer. We discuss a general strategy to introduce approximations, which consists in calculating the spectral potential in the homogeneous limit (here represented by the symmetric Hubbard dimer) and importing it in the real inhomogeneous system through a suitable ``connector''. The comparison of different levels of approximation to the spectral potential with the exact solution of the asymmetric Hubbard dimer gives insights about the advantages and the difficulties of this connector strategy for applications in real materials.},
+	author = {Vanzini, Marco and Reining, Lucia and Gatti, Matteo},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1140/epjb/e2018-90277-3},
+	file = {/Users/loos/Zotero/storage/98HZJ25E/Vanzini et al. - 2018 - Spectroscopy of the Hubbard dimer the spectral po.pdf},
+	issn = {1434-6028, 1434-6036},
+	journal = {Eur. Phys. J. B},
+	language = {en},
+	month = aug,
+	number = {8},
+	shorttitle = {Spectroscopy of the {{Hubbard}} Dimer},
+	title = {Spectroscopy of the {{Hubbard}} Dimer: The Spectral Potential},
+	volume = {91},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1140/epjb/e2018-90277-3}}
 
 @article{Varandas_2008,
-	Author = {Varandas, A. J. C.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.3036115},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = dec,
-	Number = {23},
-	Pages = {234103},
-	Shorttitle = {Extrapolation to the Complete-Basis-Set Limit and the Implications of Avoided Crossings},
-	Title = {Extrapolation to the Complete-Basis-Set Limit and the Implications of Avoided Crossings: {{The X $\Sigma$1g}}+, {{B $\Delta$1g}}, and {{B}}${'}$ {{$\Sigma$1g}}+ States of {{C2}}},
-	Volume = {129},
-	Year = {2008},
+	author = {Varandas, A. J. C.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.3036115},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = dec,
+	number = {23},
+	pages = {234103},
+	shorttitle = {Extrapolation to the Complete-Basis-Set Limit and the Implications of Avoided Crossings},
+	title = {Extrapolation to the Complete-Basis-Set Limit and the Implications of Avoided Crossings: {{The X $\Sigma$1g}}+, {{B $\Delta$1g}}, and {{B}}${'}$ {{$\Sigma$1g}}+ States of {{C2}}},
+	volume = {129},
+	year = {2008},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3036115}}
 
 @article{Vosko_1980,
-	Author = {Vosko, S. H. and Wilk, L. and Nusair, M.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1139/p80-159},
-	Journal = {Can. J. Phys.},
-	Pages = {1200--1211},
-	Title = {Accurate Spin-Dependent Electron Liquid Correlation Energies for Local Spin Density Calculations: A Critical Analysis},
-	Volume = {58},
-	Year = {1980},
+	author = {Vosko, S. H. and Wilk, L. and Nusair, M.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1139/p80-159},
+	journal = {Can. J. Phys.},
+	pages = {1200--1211},
+	title = {Accurate Spin-Dependent Electron Liquid Correlation Energies for Local Spin Density Calculations: A Critical Analysis},
+	volume = {58},
+	year = {1980},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1139/p80-159}}
 
 @article{Vuckovic_2016,
-	Abstract = {The construction of density-functional approximations is explored by modeling the adiabatic connection locally, using energy densities defined in terms of the electrostatic potential of the exchange-correlation hole. These local models are more amenable to the construction of size-consistent approximations than their global counterparts. In this work we use accurate input local ingredients to assess the accuracy of a range of local interpolation models against accurate exchange-correlation energy densities. The importance of the strictly correlated electrons (SCE) functional describing the strong coupling limit is emphasized, enabling the corresponding interpolated functionals to treat strong correlation effects. In addition to exploring the performance of such models numerically for the helium and beryllium isoelectronic series and the dissociation of the hydrogen molecule, an approximate analytic model is presented for the initial slope of the local adiabatic connection. Comparisons are made with approaches based on global models, and prospects for future approximations based on the local adiabatic connection are discussed.},
-	Author = {Vuckovic, Stefan and Irons, Tom J. P. and Savin, Andreas and Teale, Andrew M. and {Gori-Giorgi}, Paola},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/acs.jctc.6b00177},
-	File = {/Users/loos/Zotero/storage/AB9FFH6Y/Vuckovic et al. - 2016 - Exchange--Correlation Functionals via Local Interpo.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = jun,
-	Number = {6},
-	Pages = {2598-2610},
-	Title = {Exchange\textendash{{Correlation Functionals}} via {{Local Interpolation}} along the {{Adiabatic Connection}}},
-	Volume = {12},
-	Year = {2016},
+	abstract = {The construction of density-functional approximations is explored by modeling the adiabatic connection locally, using energy densities defined in terms of the electrostatic potential of the exchange-correlation hole. These local models are more amenable to the construction of size-consistent approximations than their global counterparts. In this work we use accurate input local ingredients to assess the accuracy of a range of local interpolation models against accurate exchange-correlation energy densities. The importance of the strictly correlated electrons (SCE) functional describing the strong coupling limit is emphasized, enabling the corresponding interpolated functionals to treat strong correlation effects. In addition to exploring the performance of such models numerically for the helium and beryllium isoelectronic series and the dissociation of the hydrogen molecule, an approximate analytic model is presented for the initial slope of the local adiabatic connection. Comparisons are made with approaches based on global models, and prospects for future approximations based on the local adiabatic connection are discussed.},
+	author = {Vuckovic, Stefan and Irons, Tom J. P. and Savin, Andreas and Teale, Andrew M. and {Gori-Giorgi}, Paola},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/acs.jctc.6b00177},
+	file = {/Users/loos/Zotero/storage/AB9FFH6Y/Vuckovic et al. - 2016 - Exchange--Correlation Functionals via Local Interpo.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = jun,
+	number = {6},
+	pages = {2598-2610},
+	title = {Exchange\textendash{{Correlation Functionals}} via {{Local Interpolation}} along the {{Adiabatic Connection}}},
+	volume = {12},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.6b00177}}
 
 @article{Vuckovic_2017,
-	Abstract = {From a simplified version of the mathematical structure of the strong coupling limit of the exact exchange-correlation functional, we construct an approximation for the electronic repulsion energy at physical coupling strength, which is fully nonlocal. This functional is self-interaction free and yields energy densities within the definition of the electrostatic potential of the exchange-correlation hole that are locally accurate and have the correct asymptotic behavior. The model is able to capture strong correlation effects that arise from chemical bond dissociation, without relying on error cancellation. These features, which are usually missed by standard density functional theory (DFT) functionals, are captured by the highly nonlocal structure, which goes beyond the ``Jacob's ladder'' framework for functional construction, by using integrals of the density as the key ingredient. Possible routes for obtaining the full exchange-correlation functional by recovering the missing kinetic component of the correlation energy are also implemented and discussed.},
-	Author = {Vuckovic, Stefan and {Gori-Giorgi}, Paola},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/acs.jpclett.7b01113},
-	File = {/Users/loos/Zotero/storage/YJUN4JS9/Vuckovic and Gori-Giorgi - 2017 - Simple Fully Nonlocal Density Functionals for Elec.pdf},
-	Issn = {1948-7185},
-	Journal = {J. Phys. Chem. Lett.},
-	Language = {en},
-	Month = jul,
-	Number = {13},
-	Pages = {2799-2805},
-	Title = {Simple {{Fully Nonlocal Density Functionals}} for {{Electronic Repulsion Energy}}},
-	Volume = {8},
-	Year = {2017},
+	abstract = {From a simplified version of the mathematical structure of the strong coupling limit of the exact exchange-correlation functional, we construct an approximation for the electronic repulsion energy at physical coupling strength, which is fully nonlocal. This functional is self-interaction free and yields energy densities within the definition of the electrostatic potential of the exchange-correlation hole that are locally accurate and have the correct asymptotic behavior. The model is able to capture strong correlation effects that arise from chemical bond dissociation, without relying on error cancellation. These features, which are usually missed by standard density functional theory (DFT) functionals, are captured by the highly nonlocal structure, which goes beyond the ``Jacob's ladder'' framework for functional construction, by using integrals of the density as the key ingredient. Possible routes for obtaining the full exchange-correlation functional by recovering the missing kinetic component of the correlation energy are also implemented and discussed.},
+	author = {Vuckovic, Stefan and {Gori-Giorgi}, Paola},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/acs.jpclett.7b01113},
+	file = {/Users/loos/Zotero/storage/YJUN4JS9/Vuckovic and Gori-Giorgi - 2017 - Simple Fully Nonlocal Density Functionals for Elec.pdf},
+	issn = {1948-7185},
+	journal = {J. Phys. Chem. Lett.},
+	language = {en},
+	month = jul,
+	number = {13},
+	pages = {2799-2805},
+	title = {Simple {{Fully Nonlocal Density Functionals}} for {{Electronic Repulsion Energy}}},
+	volume = {8},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.7b01113}}
 
 @article{Vuckovic_2017a,
-	Author = {Vuckovic, Stefan and Levy, Mel and {Gori-Giorgi}, Paola},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4997311},
-	File = {/Users/loos/Zotero/storage/4VRT9538/Vuckovic et al. - 2017 - Augmented potential, energy densities, and virial .pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = dec,
-	Number = {21},
-	Pages = {214107},
-	Title = {Augmented Potential, Energy Densities, and Virial Relations in the Weak- and Strong-Interaction Limits of {{DFT}}},
-	Volume = {147},
-	Year = {2017},
+	author = {Vuckovic, Stefan and Levy, Mel and {Gori-Giorgi}, Paola},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4997311},
+	file = {/Users/loos/Zotero/storage/4VRT9538/Vuckovic et al. - 2017 - Augmented potential, energy densities, and virial .pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = dec,
+	number = {21},
+	pages = {214107},
+	title = {Augmented Potential, Energy Densities, and Virial Relations in the Weak- and Strong-Interaction Limits of {{DFT}}},
+	volume = {147},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4997311}}
 
 @article{Vuckovic_2018,
-	Abstract = {Approximate exchange-correlation functionals built by modeling in a nonlinear way the adiabatic connection (AC) integrand of density functional theory have many attractive features, being virtually parameter-free and satisfying different exact properties, but they also have a fundamental flaw: they violate the size-consistency condition, crucial to evaluate interaction energies of molecular systems. We show that size consistency in the AC-based functionals can be restored in a very simple way at no extra computational cost. Results on a large set of benchmark molecular interaction energies show that functionals based on the interaction strength interpolation approximations are significantly more accurate than second-order perturbation theory.},
-	Author = {Vuckovic, Stefan and {Gori-Giorgi}, Paola and Della Sala, Fabio and Fabiano, Eduardo},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/acs.jpclett.8b01054},
-	File = {/Users/loos/Zotero/storage/7FQTH2WL/Vuckovic et al. - 2018 - Restoring Size Consistency of Approximate Function.pdf},
-	Issn = {1948-7185},
-	Journal = {J. Phys. Chem. Lett.},
-	Language = {en},
-	Month = jun,
-	Number = {11},
-	Pages = {3137-3142},
-	Title = {Restoring {{Size Consistency}} of {{Approximate Functionals Constructed}} from the {{Adiabatic Connection}}},
-	Volume = {9},
-	Year = {2018},
+	abstract = {Approximate exchange-correlation functionals built by modeling in a nonlinear way the adiabatic connection (AC) integrand of density functional theory have many attractive features, being virtually parameter-free and satisfying different exact properties, but they also have a fundamental flaw: they violate the size-consistency condition, crucial to evaluate interaction energies of molecular systems. We show that size consistency in the AC-based functionals can be restored in a very simple way at no extra computational cost. Results on a large set of benchmark molecular interaction energies show that functionals based on the interaction strength interpolation approximations are significantly more accurate than second-order perturbation theory.},
+	author = {Vuckovic, Stefan and {Gori-Giorgi}, Paola and Della Sala, Fabio and Fabiano, Eduardo},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/acs.jpclett.8b01054},
+	file = {/Users/loos/Zotero/storage/7FQTH2WL/Vuckovic et al. - 2018 - Restoring Size Consistency of Approximate Function.pdf},
+	issn = {1948-7185},
+	journal = {J. Phys. Chem. Lett.},
+	language = {en},
+	month = jun,
+	number = {11},
+	pages = {3137-3142},
+	title = {Restoring {{Size Consistency}} of {{Approximate Functionals Constructed}} from the {{Adiabatic Connection}}},
+	volume = {9},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.8b01054}}
 
 @article{Wagner_2003,
-	Author = {Wagner, Lucas and Mit\'a\v{s}, Lubos},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/s0009-2614(03)00128-3},
-	Issn = {0009-2614},
-	Journal = {Chem. Phys. Lett.},
-	Month = {Mar},
-	Number = {3-4},
-	Pages = {412--417},
-	Publisher = {Elsevier BV},
-	Title = {A quantum Monte Carlo study of electron correlation in transition metal oxygen molecules},
-	Url = {http://dx.doi.org/10.1016/S0009-2614(03)00128-3},
-	Volume = {370},
-	Year = {2003},
+	author = {Wagner, Lucas and Mit\'a\v{s}, Lubos},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/s0009-2614(03)00128-3},
+	issn = {0009-2614},
+	journal = {Chem. Phys. Lett.},
+	month = {Mar},
+	number = {3-4},
+	pages = {412--417},
+	publisher = {Elsevier BV},
+	title = {A quantum Monte Carlo study of electron correlation in transition metal oxygen molecules},
+	url = {http://dx.doi.org/10.1016/S0009-2614(03)00128-3},
+	volume = {370},
+	year = {2003},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1016/S0009-2614(03)00128-3},
 	Bdsk-Url-2 = {http://dx.doi.org/10.1016/s0009-2614(03)00128-3}}
 
 @article{Wagner_2007,
-	Author = {Wagner, Lucas K. and Mit\'a\v{s}, Lubos},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.2428294},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Jan},
-	Number = {3},
-	Pages = {034105},
-	Publisher = {AIP Publishing},
-	Title = {Energetics and dipole moment of transition metal monoxides by quantum Monte Carlo},
-	Url = {http://dx.doi.org/10.1063/1.2428294},
-	Volume = {126},
-	Year = {2007},
+	author = {Wagner, Lucas K. and Mit\'a\v{s}, Lubos},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.2428294},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Jan},
+	number = {3},
+	pages = {034105},
+	publisher = {AIP Publishing},
+	title = {Energetics and dipole moment of transition metal monoxides by quantum Monte Carlo},
+	url = {http://dx.doi.org/10.1063/1.2428294},
+	volume = {126},
+	year = {2007},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.2428294}}
 
 @article{Wagner_2013,
-	Author = {Wagner, Lucas K.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/qua.24526},
-	Issn = {0020-7608},
-	Journal = {Int. J. Quantum Chem.},
-	Month = {Aug},
-	Number = {2},
-	Pages = {94--101},
-	Publisher = {Wiley-Blackwell},
-	Title = {Quantum Monte Carlo forAb Initiocalculations of energy-relevant materials},
-	Url = {http://dx.doi.org/10.1002/qua.24526},
-	Volume = {114},
-	Year = {2013},
+	author = {Wagner, Lucas K.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/qua.24526},
+	issn = {0020-7608},
+	journal = {Int. J. Quantum Chem.},
+	month = {Aug},
+	number = {2},
+	pages = {94--101},
+	publisher = {Wiley-Blackwell},
+	title = {Quantum Monte Carlo forAb Initiocalculations of energy-relevant materials},
+	url = {http://dx.doi.org/10.1002/qua.24526},
+	volume = {114},
+	year = {2013},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1002/qua.24526}}
 
 @article{Wang_2004,
-	Author = {Wang, Fan and Ziegler, Tom},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.1821494},
-	Issn = {00219606},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Number = {24},
-	Pages = {12191},
-	Title = {Time-Dependent Density Functional Theory Based on a Noncollinear Formulation of the Exchange-Correlation Potential},
-	Volume = {121},
-	Year = {2004},
+	author = {Wang, Fan and Ziegler, Tom},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.1821494},
+	issn = {00219606},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	number = {24},
+	pages = {12191},
+	title = {Time-Dependent Density Functional Theory Based on a Noncollinear Formulation of the Exchange-Correlation Potential},
+	volume = {121},
+	year = {2004},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1821494}}
 
 @article{Wang_2006,
-	Author = {Wang, Fan and Ziegler, Tom},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/qua.21050},
-	Issn = {0020-7608, 1097-461X},
-	Journal = {Int. J. Quantum Chem.},
-	Language = {en},
-	Number = {12},
-	Pages = {2545-2550},
-	Title = {Use of Noncollinear Exchange-Correlation Potentials in Multiplet Resolutions by Time-Dependent Density Functional Theory},
-	Volume = {106},
-	Year = {2006},
+	author = {Wang, Fan and Ziegler, Tom},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/qua.21050},
+	issn = {0020-7608, 1097-461X},
+	journal = {Int. J. Quantum Chem.},
+	language = {en},
+	number = {12},
+	pages = {2545-2550},
+	title = {Use of Noncollinear Exchange-Correlation Potentials in Multiplet Resolutions by Time-Dependent Density Functional Theory},
+	volume = {106},
+	year = {2006},
 	Bdsk-Url-1 = {https://doi.org/10.1002/qua.21050}}
 
 @article{Wang_2011,
-	Author = {Wang, Li and Huang, Dao-ling and Zhen, Jun-feng and Zhang, Qun and Chen, Yang},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1088/1674-0068/24/01/1-3},
-	Issn = {2327-2244},
-	Journal = {Chin. J. Chem. Phys.},
-	Month = {Feb},
-	Number = {1},
-	Pages = {1--3},
-	Publisher = {AIP Publishing},
-	Title = {Experimental Determination of the Vibrational Constants of FeS(X5Δ) by Dispersed Fluorescence Spectroscopy},
-	Url = {http://dx.doi.org/10.1088/1674-0068/24/01/1-3},
-	Volume = {24},
-	Year = {2011},
+	author = {Wang, Li and Huang, Dao-ling and Zhen, Jun-feng and Zhang, Qun and Chen, Yang},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1088/1674-0068/24/01/1-3},
+	issn = {2327-2244},
+	journal = {Chin. J. Chem. Phys.},
+	month = {Feb},
+	number = {1},
+	pages = {1--3},
+	publisher = {AIP Publishing},
+	title = {Experimental Determination of the Vibrational Constants of FeS(X5Δ) by Dispersed Fluorescence Spectroscopy},
+	url = {http://dx.doi.org/10.1088/1674-0068/24/01/1-3},
+	volume = {24},
+	year = {2011},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1088/1674-0068/24/01/1-3}}
 
 @article{Wanko_2005,
-	Author = {Wanko, M. and Hoffmann, M. and Strodel, P. and Koslowski, A. and Thiel, W. and Neese, F. and Frauenheim, T. and Elstner, M.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/jp0463060},
-	Issn = {1520-6106, 1520-5207},
-	Journal = {J. Phys. Chem. B},
-	Language = {en},
-	Month = mar,
-	Number = {8},
-	Pages = {3606-3615},
-	Shorttitle = {Calculating {{Absorption Shifts}} for {{Retinal Proteins}}},
-	Title = {Calculating {{Absorption Shifts}} for {{Retinal Proteins}}: {{Computational Challenges}}},
-	Volume = {109},
-	Year = {2005},
+	author = {Wanko, M. and Hoffmann, M. and Strodel, P. and Koslowski, A. and Thiel, W. and Neese, F. and Frauenheim, T. and Elstner, M.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/jp0463060},
+	issn = {1520-6106, 1520-5207},
+	journal = {J. Phys. Chem. B},
+	language = {en},
+	month = mar,
+	number = {8},
+	pages = {3606-3615},
+	shorttitle = {Calculating {{Absorption Shifts}} for {{Retinal Proteins}}},
+	title = {Calculating {{Absorption Shifts}} for {{Retinal Proteins}}: {{Computational Challenges}}},
+	volume = {109},
+	year = {2005},
 	Bdsk-Url-1 = {https://doi.org/10.1021/jp0463060}}
 
 @article{Watson_2012,
-	Author = {Watson, Mark A. and Chan, Garnet Kin-Lic},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/ct300591z},
-	Journal = {J. Chem. Theory Comput.},
-	Number = {11},
-	Pages = {4013--4018},
-	Title = {Excited States of Butadiene to Chemical Accuracy: Reconciling Theory and Experiment},
-	Volume = {8},
-	Year = {2012},
+	author = {Watson, Mark A. and Chan, Garnet Kin-Lic},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/ct300591z},
+	journal = {J. Chem. Theory Comput.},
+	number = {11},
+	pages = {4013--4018},
+	title = {Excited States of Butadiene to Chemical Accuracy: Reconciling Theory and Experiment},
+	volume = {8},
+	year = {2012},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1021/ct300591z}}
 
 @article{Watts_1996a,
-	Author = {Watts, John D. and Gwaltney, Steven R. and Bartlett, Rodney J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-09-07 13:49:59 +0200},
-	Doi = {10.1063/1.471988},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = oct,
-	Number = {16},
-	Pages = {6979-6988},
-	Title = {Coupled-cluster Calculations of the Excitation Energies of Ethylene, Butadiene, and Cyclopentadiene},
-	Volume = {105},
-	Year = {1996},
+	author = {Watts, John D. and Gwaltney, Steven R. and Bartlett, Rodney J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-09-07 13:49:59 +0200},
+	doi = {10.1063/1.471988},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = oct,
+	number = {16},
+	pages = {6979-6988},
+	title = {Coupled-cluster Calculations of the Excitation Energies of Ethylene, Butadiene, and Cyclopentadiene},
+	volume = {105},
+	year = {1996},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.471988}}
 
 @article{Weber_1999,
-	Author = {Weber, Peter and Reimers, Jeffrey R.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/jp991403s},
-	Issn = {1089-5639, 1520-5215},
-	Journal = {J. Phys. Chem. A},
-	Language = {en},
-	Month = dec,
-	Number = {48},
-	Pages = {9821-9829},
-	Title = {Ab {{Initio}} and {{Density Functional Calculations}} of the {{Energies}} of the {{Singlet}} and {{Triplet Valence Excited States}} of {{Pyrazine}}},
-	Volume = {103},
-	Year = {1999},
+	author = {Weber, Peter and Reimers, Jeffrey R.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/jp991403s},
+	issn = {1089-5639, 1520-5215},
+	journal = {J. Phys. Chem. A},
+	language = {en},
+	month = dec,
+	number = {48},
+	pages = {9821-9829},
+	title = {Ab {{Initio}} and {{Density Functional Calculations}} of the {{Energies}} of the {{Singlet}} and {{Triplet Valence Excited States}} of {{Pyrazine}}},
+	volume = {103},
+	year = {1999},
 	Bdsk-Url-1 = {https://doi.org/10.1021/jp991403s}}
 
 @article{Whitten_1969,
-	Author = {Whitten, J. L. and Hackmeyer, Melvyn},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.1671985},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Dec},
-	Number = {12},
-	Pages = {5584--5596},
-	Publisher = {AIP Publishing},
-	Title = {Configuration Interaction Studies of Ground and Excited States of Polyatomic Molecules. I. The CI Formulation and Studies of Formaldehyde},
-	Url = {http://dx.doi.org/10.1063/1.1671985},
-	Volume = {51},
-	Year = {1969},
+	author = {Whitten, J. L. and Hackmeyer, Melvyn},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.1671985},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Dec},
+	number = {12},
+	pages = {5584--5596},
+	publisher = {AIP Publishing},
+	title = {Configuration Interaction Studies of Ground and Excited States of Polyatomic Molecules. I. The CI Formulation and Studies of Formaldehyde},
+	url = {http://dx.doi.org/10.1063/1.1671985},
+	volume = {51},
+	year = {1969},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.1671985}}
 
 @article{Wiberg_1998,
-	Author = {Wiberg, K. B. and Stratmann, R. E. and Frisch, M. J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {Chem. Phys. Lett.},
-	Pages = {60--64},
-	Title = {A Time-Dependent Density Functional Theory Study of the Electronically Excited States of Formaldehyde, Acetaldehyde and Acetone},
-	Volume = 297,
-	Year = 1998}
+	author = {Wiberg, K. B. and Stratmann, R. E. and Frisch, M. J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {Chem. Phys. Lett.},
+	pages = {60--64},
+	title = {A Time-Dependent Density Functional Theory Study of the Electronically Excited States of Formaldehyde, Acetaldehyde and Acetone},
+	volume = 297,
+	year = 1998}
 
 @article{Wiberg_2002,
-	Author = {Wiberg, K. B. and de Oliveria, A. E. and Trucks, G.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Journal = {J. Phys. Chem. A},
-	Pages = {4192--4199},
-	Title = {A Comparison of the Electronic Transition Energies for Ethene, Isobutene, Formaldehyde, and Acetone Calculated Using RPA, TDDFT, and EOM-CCSD. Effect of Basis Sets},
-	Volume = {106},
-	Year = 2002}
+	author = {Wiberg, K. B. and de Oliveria, A. E. and Trucks, G.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	journal = {J. Phys. Chem. A},
+	pages = {4192--4199},
+	title = {A Comparison of the Electronic Transition Energies for Ethene, Isobutene, Formaldehyde, and Acetone Calculated Using RPA, TDDFT, and EOM-CCSD. Effect of Basis Sets},
+	volume = {106},
+	year = 2002}
 
 @article{Williams_1975,
-	Author = {Williams, G.R.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/0009-2614(75)80039-X},
-	Issn = {00092614},
-	Journal = {Chem. Phys. Lett.},
-	Language = {en},
-	Month = feb,
-	Number = {3},
-	Pages = {495-497},
-	Title = {A Theoretical Study of the Excited States of the Nitroxyl Radical ({{HNO}}) via the Equations of Motion Method},
-	Volume = {30},
-	Year = {1975},
+	author = {Williams, G.R.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/0009-2614(75)80039-X},
+	issn = {00092614},
+	journal = {Chem. Phys. Lett.},
+	language = {en},
+	month = feb,
+	number = {3},
+	pages = {495-497},
+	title = {A Theoretical Study of the Excited States of the Nitroxyl Radical ({{HNO}}) via the Equations of Motion Method},
+	volume = {30},
+	year = {1975},
 	Bdsk-Url-1 = {https://doi.org/10.1016/0009-2614(75)80039-X}}
 
 @article{Williamson_2002,
-	Author = {Williamson, Andrew J. and Grossman, Jeffrey C. and Hood, Randolph Q. and Puzder, Aaron and Galli, Giulia},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.89.196803},
-	File = {/Users/loos/Zotero/storage/7PV4DECC/Williamson et al. - 2002 - Quantum Monte Carlo Calculations of Nanostructure .pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = oct,
-	Number = {19},
-	Pages = {196803},
-	Shorttitle = {Quantum {{Monte Carlo Calculations}} of {{Nanostructure Optical Gaps}}},
-	Title = {Quantum {{Monte Carlo Calculations}} of {{Nanostructure Optical Gaps}}: {{Application}} to {{Silicon Quantum Dots}}},
-	Volume = {89},
-	Year = {2002},
+	author = {Williamson, Andrew J. and Grossman, Jeffrey C. and Hood, Randolph Q. and Puzder, Aaron and Galli, Giulia},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.89.196803},
+	file = {/Users/loos/Zotero/storage/7PV4DECC/Williamson et al. - 2002 - Quantum Monte Carlo Calculations of Nanostructure .pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = oct,
+	number = {19},
+	pages = {196803},
+	shorttitle = {Quantum {{Monte Carlo Calculations}} of {{Nanostructure Optical Gaps}}},
+	title = {Quantum {{Monte Carlo Calculations}} of {{Nanostructure Optical Gaps}}: {{Application}} to {{Silicon Quantum Dots}}},
+	volume = {89},
+	year = {2002},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.89.196803}}
 
 @article{Williamson_2002a,
-	Author = {Williamson, Andrew J. and Grossman, Jeffrey C. and Hood, Randolph Q. and Puzder, Aaron and Galli, Giulia},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.89.196803},
-	File = {/Users/loos/Zotero/storage/XMBEEF79/Williamson et al. - 2002 - Quantum Monte Carlo Calculations of Nanostructure .pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = oct,
-	Number = {19},
-	Pages = {196803},
-	Shorttitle = {Quantum {{Monte Carlo Calculations}} of {{Nanostructure Optical Gaps}}},
-	Title = {Quantum {{Monte Carlo Calculations}} of {{Nanostructure Optical Gaps}}: {{Application}} to {{Silicon Quantum Dots}}},
-	Volume = {89},
-	Year = {2002},
+	author = {Williamson, Andrew J. and Grossman, Jeffrey C. and Hood, Randolph Q. and Puzder, Aaron and Galli, Giulia},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.89.196803},
+	file = {/Users/loos/Zotero/storage/XMBEEF79/Williamson et al. - 2002 - Quantum Monte Carlo Calculations of Nanostructure .pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = oct,
+	number = {19},
+	pages = {196803},
+	shorttitle = {Quantum {{Monte Carlo Calculations}} of {{Nanostructure Optical Gaps}}},
+	title = {Quantum {{Monte Carlo Calculations}} of {{Nanostructure Optical Gaps}}: {{Application}} to {{Silicon Quantum Dots}}},
+	volume = {89},
+	year = {2002},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.89.196803}}
 
 @article{Witek_2003,
-	Author = {Witek, Henryk A. and Nakano, Haruyuki and Hirao, Kimihiko},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/jcc.10311},
-	Issn = {0192-8651, 1096-987X},
-	Journal = {J. Comput. Chem.},
-	Language = {en},
-	Month = sep,
-	Number = {12},
-	Pages = {1390-1400},
-	Title = {Multireference Perturbation Theory with Optimized Partitioning. {{II}}. {{Applications}} to Molecular Systems},
-	Volume = {24},
-	Year = {2003},
+	author = {Witek, Henryk A. and Nakano, Haruyuki and Hirao, Kimihiko},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/jcc.10311},
+	issn = {0192-8651, 1096-987X},
+	journal = {J. Comput. Chem.},
+	language = {en},
+	month = sep,
+	number = {12},
+	pages = {1390-1400},
+	title = {Multireference Perturbation Theory with Optimized Partitioning. {{II}}. {{Applications}} to Molecular Systems},
+	volume = {24},
+	year = {2003},
 	Bdsk-Url-1 = {https://doi.org/10.1002/jcc.10311}}
 
 @article{Woodcock_2002,
-	Author = {Woodcock, H. Lee and Schaefer, Henry F. and Schreiner, Peter R.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/jp0212895},
-	File = {/Users/loos/Zotero/storage/T47SGG9V/Woodcock et al. - 2002 - Problematic Energy Differences between Cumulenes a.pdf},
-	Issn = {1089-5639, 1520-5215},
-	Journal = {J. Phys. Chem. A},
-	Language = {en},
-	Month = dec,
-	Number = {49},
-	Pages = {11923-11931},
-	Shorttitle = {Problematic {{Energy Differences}} between {{Cumulenes}} and {{Poly}}-Ynes},
-	Title = {Problematic {{Energy Differences}} between {{Cumulenes}} and {{Poly}}-Ynes: {{Does This Point}} to a {{Systematic Improvement}} of {{Density Functional Theory}}?},
-	Volume = {106},
-	Year = {2002},
+	author = {Woodcock, H. Lee and Schaefer, Henry F. and Schreiner, Peter R.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/jp0212895},
+	file = {/Users/loos/Zotero/storage/T47SGG9V/Woodcock et al. - 2002 - Problematic Energy Differences between Cumulenes a.pdf},
+	issn = {1089-5639, 1520-5215},
+	journal = {J. Phys. Chem. A},
+	language = {en},
+	month = dec,
+	number = {49},
+	pages = {11923-11931},
+	shorttitle = {Problematic {{Energy Differences}} between {{Cumulenes}} and {{Poly}}-Ynes},
+	title = {Problematic {{Energy Differences}} between {{Cumulenes}} and {{Poly}}-Ynes: {{Does This Point}} to a {{Systematic Improvement}} of {{Density Functional Theory}}?},
+	volume = {106},
+	year = {2002},
 	Bdsk-Url-1 = {https://doi.org/10.1021/jp0212895}}
 
 @article{Wouters_2014,
-	Author = {Wouters, Sebastian and Poelmans, Ward and Ayers, Paul W. and Van Neck, Dimitri},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/j.cpc.2014.01.019},
-	Issn = {00104655},
-	Journal = {Computer Physics Communications},
-	Language = {en},
-	Month = jun,
-	Number = {6},
-	Pages = {1501-1514},
-	Shorttitle = {{{CheMPS2}}},
-	Title = {{{CheMPS2}}: {{A}} Free Open-Source Spin-Adapted Implementation of the Density Matrix Renormalization Group for Ab Initio Quantum Chemistry},
-	Volume = {185},
-	Year = {2014},
+	author = {Wouters, Sebastian and Poelmans, Ward and Ayers, Paul W. and Van Neck, Dimitri},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/j.cpc.2014.01.019},
+	issn = {00104655},
+	journal = {Computer Physics Communications},
+	language = {en},
+	month = jun,
+	number = {6},
+	pages = {1501-1514},
+	shorttitle = {{{CheMPS2}}},
+	title = {{{CheMPS2}}: {{A}} Free Open-Source Spin-Adapted Implementation of the Density Matrix Renormalization Group for Ab Initio Quantum Chemistry},
+	volume = {185},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1016/j.cpc.2014.01.019}}
 
 @article{Wu_2007,
-	Author = {Wu, Z. J. and Wang, M. Y. and Su, Z. M.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/jcc.20603},
-	Issn = {1096-987X},
-	Journal = {J. Comput. Chem.},
-	Month = {Feb},
-	Number = {3},
-	Pages = {703--714},
-	Publisher = {Wiley-Blackwell},
-	Title = {Electronic structures and chemical bonding in diatomic ScX to ZnX (X = S, Se, Te)},
-	Url = {http://dx.doi.org/10.1002/jcc.20603},
-	Volume = {28},
-	Year = {2007},
+	author = {Wu, Z. J. and Wang, M. Y. and Su, Z. M.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/jcc.20603},
+	issn = {1096-987X},
+	journal = {J. Comput. Chem.},
+	month = {Feb},
+	number = {3},
+	pages = {703--714},
+	publisher = {Wiley-Blackwell},
+	title = {Electronic structures and chemical bonding in diatomic ScX to ZnX (X = S, Se, Te)},
+	url = {http://dx.doi.org/10.1002/jcc.20603},
+	volume = {28},
+	year = {2007},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1002/jcc.20603}}
 
 @article{Xiao_2016,
-	Author = {Xiao, Suo and Li, Xiaopeng and Sun, Weiwei and Guan, Baoqin and Wang, Yong},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/j.cej.2016.05.068},
-	Issn = {1385-8947},
-	Journal = {Chem. Eng. J.},
-	Month = {Dec},
-	Pages = {251--259},
-	Publisher = {Elsevier BV},
-	Title = {General and facile synthesis of metal sulfide nanostructures: In situ microwave synthesis and application as binder-free cathode for Li-ion batteries},
-	Url = {http://dx.doi.org/10.1016/j.cej.2016.05.068},
-	Volume = {306},
-	Year = {2016},
+	author = {Xiao, Suo and Li, Xiaopeng and Sun, Weiwei and Guan, Baoqin and Wang, Yong},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/j.cej.2016.05.068},
+	issn = {1385-8947},
+	journal = {Chem. Eng. J.},
+	month = {Dec},
+	pages = {251--259},
+	publisher = {Elsevier BV},
+	title = {General and facile synthesis of metal sulfide nanostructures: In situ microwave synthesis and application as binder-free cathode for Li-ion batteries},
+	url = {http://dx.doi.org/10.1016/j.cej.2016.05.068},
+	volume = {306},
+	year = {2016},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1016/j.cej.2016.05.068}}
 
 @article{Xu_2013,
-	Abstract = {We present a new approach to calculating potential energy surfaces for photochemical reactions by combining self-consistent-field calculations for single-reference ground and excited states with symmetrycorrected spin-flip Tamm-Dancoff approximation calculations for multireference electronic states. The method is illustrated by an application with the M05-2X exchange-correlation functional to cis-trans isomerization of the penta-2,4-dieniminium cation, which is a model (with three conjugated double bonds) of the protonated Schiff base of retinal. We find good agreement with multireference configuration interaction-plus-quadruples (MRCISD+Q) wave function calculations along three key paths in the strong-interaction region of the ground and first excited singlet states.},
-	Author = {Xu, Xuefei and Gozem, Samer and Olivucci, Massimo and Truhlar, Donald G.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/jz301935x},
-	File = {/Users/loos/Zotero/storage/W3NS8BIA/Xu et al. - 2013 - Combined Self-Consistent-Field and Spin-Flip Tamm--.pdf},
-	Issn = {1948-7185},
-	Journal = {J. Phys. Chem. Lett.},
-	Language = {en},
-	Month = jan,
-	Number = {2},
-	Pages = {253-258},
-	Title = {Combined {{Self}}-{{Consistent}}-{{Field}} and {{Spin}}-{{Flip Tamm}}\textendash{{Dancoff Density Functional Approach}} to {{Potential Energy Surfaces}} for {{Photochemistry}}},
-	Volume = {4},
-	Year = {2013},
+	abstract = {We present a new approach to calculating potential energy surfaces for photochemical reactions by combining self-consistent-field calculations for single-reference ground and excited states with symmetrycorrected spin-flip Tamm-Dancoff approximation calculations for multireference electronic states. The method is illustrated by an application with the M05-2X exchange-correlation functional to cis-trans isomerization of the penta-2,4-dieniminium cation, which is a model (with three conjugated double bonds) of the protonated Schiff base of retinal. We find good agreement with multireference configuration interaction-plus-quadruples (MRCISD+Q) wave function calculations along three key paths in the strong-interaction region of the ground and first excited singlet states.},
+	author = {Xu, Xuefei and Gozem, Samer and Olivucci, Massimo and Truhlar, Donald G.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/jz301935x},
+	file = {/Users/loos/Zotero/storage/W3NS8BIA/Xu et al. - 2013 - Combined Self-Consistent-Field and Spin-Flip Tamm--.pdf},
+	issn = {1948-7185},
+	journal = {J. Phys. Chem. Lett.},
+	language = {en},
+	month = jan,
+	number = {2},
+	pages = {253-258},
+	title = {Combined {{Self}}-{{Consistent}}-{{Field}} and {{Spin}}-{{Flip Tamm}}\textendash{{Dancoff Density Functional Approach}} to {{Potential Energy Surfaces}} for {{Photochemistry}}},
+	volume = {4},
+	year = {2013},
 	Bdsk-Url-1 = {https://doi.org/10.1021/jz301935x}}
 
 @article{Yanai_2004,
-	Author = {Yanai, Takeshi and Tew, David P and Handy, Nicholas C},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1016/j.cplett.2004.06.011},
-	Issn = {00092614},
-	Journal = {Chem. Phys. Lett.},
-	Language = {en},
-	Month = jul,
-	Number = {1-3},
-	Pages = {51-57},
-	Title = {A New Hybrid Exchange\textendash{}Correlation Functional Using the {{Coulomb}}-Attenuating Method ({{CAM}}-{{B3LYP}})},
-	Volume = {393},
-	Year = {2004},
+	author = {Yanai, Takeshi and Tew, David P and Handy, Nicholas C},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1016/j.cplett.2004.06.011},
+	issn = {00092614},
+	journal = {Chem. Phys. Lett.},
+	language = {en},
+	month = jul,
+	number = {1-3},
+	pages = {51-57},
+	title = {A New Hybrid Exchange\textendash{}Correlation Functional Using the {{Coulomb}}-Attenuating Method ({{CAM}}-{{B3LYP}})},
+	volume = {393},
+	year = {2004},
 	Bdsk-Url-1 = {https://doi.org/10.1016/j.cplett.2004.06.011}}
 
 @article{Yang_2013a,
-	Author = {Yang, Weitao and {Mori-S\'anchez}, Paula and Cohen, Aron J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4817183},
-	File = {/Users/loos/Zotero/storage/FXN44KXZ/Yang et al. - 2013 - Extension of many-body theory and approximate dens.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = sep,
-	Number = {10},
-	Pages = {104114},
-	Title = {Extension of Many-Body Theory and Approximate Density Functionals to Fractional Charges and Fractional Spins},
-	Volume = {139},
-	Year = {2013},
+	author = {Yang, Weitao and {Mori-S\'anchez}, Paula and Cohen, Aron J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4817183},
+	file = {/Users/loos/Zotero/storage/FXN44KXZ/Yang et al. - 2013 - Extension of many-body theory and approximate dens.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = sep,
+	number = {10},
+	pages = {104114},
+	title = {Extension of Many-Body Theory and Approximate Density Functionals to Fractional Charges and Fractional Spins},
+	volume = {139},
+	year = {2013},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4817183}}
 
 @article{Yang_2014,
-	Author = {Yang, Zeng-Hui and Trail, John R. and {Pribram-Jones}, Aurora and Burke, Kieron and Needs, Richard J. and Ullrich, Carsten A.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.90.042501},
-	File = {/Users/loos/Zotero/storage/432NXITC/Yang et al. - 2014 - Exact and approximate Kohn-Sham potentials in ense.pdf},
-	Issn = {1050-2947, 1094-1622},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = oct,
-	Number = {4},
-	Pages = {042501},
-	Title = {Exact and Approximate {{Kohn}}-{{Sham}} Potentials in Ensemble Density-Functional Theory},
-	Volume = {90},
-	Year = {2014},
+	author = {Yang, Zeng-Hui and Trail, John R. and {Pribram-Jones}, Aurora and Burke, Kieron and Needs, Richard J. and Ullrich, Carsten A.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.90.042501},
+	file = {/Users/loos/Zotero/storage/432NXITC/Yang et al. - 2014 - Exact and approximate Kohn-Sham potentials in ense.pdf},
+	issn = {1050-2947, 1094-1622},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = oct,
+	number = {4},
+	pages = {042501},
+	title = {Exact and Approximate {{Kohn}}-{{Sham}} Potentials in Ensemble Density-Functional Theory},
+	volume = {90},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.90.042501}}
 
 @article{Yang_2017,
-	Author = {Yang, Zeng-Hui and {Pribram-Jones}, Aurora and Burke, Kieron and Ullrich, Carsten A.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevLett.119.033003},
-	File = {/Users/loos/Zotero/storage/6UU7W786/Yang et al. - 2017 - Direct Extraction of Excitation Energies from Ense.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = jul,
-	Number = {3},
-	Pages = {033003},
-	Title = {Direct {{Extraction}} of {{Excitation Energies}} from {{Ensemble Density}}-{{Functional Theory}}},
-	Volume = {119},
-	Year = {2017},
+	author = {Yang, Zeng-Hui and {Pribram-Jones}, Aurora and Burke, Kieron and Ullrich, Carsten A.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevLett.119.033003},
+	file = {/Users/loos/Zotero/storage/6UU7W786/Yang et al. - 2017 - Direct Extraction of Excitation Energies from Ense.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = jul,
+	number = {3},
+	pages = {033003},
+	title = {Direct {{Extraction}} of {{Excitation Energies}} from {{Ensemble Density}}-{{Functional Theory}}},
+	volume = {119},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.119.033003}}
 
 @article{Zhang_1996,
-	Author = {Zhang, Nan and Hayase, Takasuke and Kawamata, Hiroshi and Nakao, Kojiro and Nakajima, Atsushi and Kaya, Koji},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.471048},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Mar},
-	Number = {10},
-	Pages = {3413--3419},
-	Publisher = {AIP Publishing},
-	Title = {Photoelectron spectroscopy of iron--sulfur cluster anions},
-	Url = {http://dx.doi.org/10.1063/1.471048},
-	Volume = {104},
-	Year = {1996},
+	author = {Zhang, Nan and Hayase, Takasuke and Kawamata, Hiroshi and Nakao, Kojiro and Nakajima, Atsushi and Kaya, Koji},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.471048},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Mar},
+	number = {10},
+	pages = {3413--3419},
+	publisher = {AIP Publishing},
+	title = {Photoelectron spectroscopy of iron--sulfur cluster anions},
+	url = {http://dx.doi.org/10.1063/1.471048},
+	volume = {104},
+	year = {1996},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.471048}}
 
 @article{Zhao_2011,
-	Author = {Zhao, Yan and Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1103/PhysRevA.84.032513},
-	File = {/Users/loos/Zotero/storage/27Q3DAWX/30.pdf},
-	Issn = {1050-2947, 1094-1622},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = sep,
-	Number = {3},
-	Title = {Correlation Energy of Anisotropic Quantum Dots},
-	Volume = {84},
-	Year = {2011},
+	author = {Zhao, Yan and Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1103/PhysRevA.84.032513},
+	file = {/Users/loos/Zotero/storage/27Q3DAWX/30.pdf},
+	issn = {1050-2947, 1094-1622},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = sep,
+	number = {3},
+	title = {Correlation Energy of Anisotropic Quantum Dots},
+	volume = {84},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.84.032513}}
 
 @article{Zhao_2016,
-	Author = {Zhao, Luning and Neuscamman, Eric},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/acs.jctc.6b00480},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = aug,
-	Number = {8},
-	Pages = {3719-3726},
-	Title = {Equation of {{Motion Theory}} for {{Excited States}} in {{Variational Monte Carlo}} and the {{Jastrow Antisymmetric Geminal Power}} in {{Hilbert Space}}},
-	Volume = {12},
-	Year = {2016},
+	author = {Zhao, Luning and Neuscamman, Eric},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/acs.jctc.6b00480},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = aug,
+	number = {8},
+	pages = {3719-3726},
+	title = {Equation of {{Motion Theory}} for {{Excited States}} in {{Variational Monte Carlo}} and the {{Jastrow Antisymmetric Geminal Power}} in {{Hilbert Space}}},
+	volume = {12},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.6b00480}}
 
 @article{Zhou_2017,
-	Author = {Zhou, Xiaojun and Wang, Fan},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1002/jcc.24750},
-	Issn = {1096-987X},
-	Journal = {J. Comput. Chem.},
-	Keywords = {FN-DMC ⋅ barrier heights ⋅ H-transfer reactions ⋅ CCSD(T) ⋅ density functional theory},
-	Number = {11},
-	Pages = {798--806},
-	Title = {Barrier heights of hydrogen-transfer reactions with diffusion quantum monte carlo method},
-	Url = {http://dx.doi.org/10.1002/jcc.24750},
-	Volume = {38},
-	Year = {2017},
+	author = {Zhou, Xiaojun and Wang, Fan},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1002/jcc.24750},
+	issn = {1096-987X},
+	journal = {J. Comput. Chem.},
+	keywords = {FN-DMC ⋅ barrier heights ⋅ H-transfer reactions ⋅ CCSD(T) ⋅ density functional theory},
+	number = {11},
+	pages = {798--806},
+	title = {Barrier heights of hydrogen-transfer reactions with diffusion quantum monte carlo method},
+	url = {http://dx.doi.org/10.1002/jcc.24750},
+	volume = {38},
+	year = {2017},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1002/jcc.24750}}
 
 @article{Zimmerman_2009,
-	Author = {Zimmerman, Paul M. and Toulouse, Julien and Zhang, Zhiyong and Musgrave, Charles B. and Umrigar, C. J.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.3220671},
-	File = {/Users/loos/Zotero/storage/RAGHIL93/Zimmerman et al. - 2009 - Excited states of methylene from quantum Monte Car.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = sep,
-	Number = {12},
-	Pages = {124103},
-	Title = {Excited States of Methylene from Quantum {{Monte Carlo}}},
-	Volume = {131},
-	Year = {2009},
+	author = {Zimmerman, Paul M. and Toulouse, Julien and Zhang, Zhiyong and Musgrave, Charles B. and Umrigar, C. J.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.3220671},
+	file = {/Users/loos/Zotero/storage/RAGHIL93/Zimmerman et al. - 2009 - Excited states of methylene from quantum Monte Car.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = sep,
+	number = {12},
+	pages = {124103},
+	title = {Excited States of Methylene from Quantum {{Monte Carlo}}},
+	volume = {131},
+	year = {2009},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3220671}}
 
 @article{Zimmerman_2011,
-	Author = {Zimmerman, Paul M. and Bell, Franziska and Casanova, David and {Head-Gordon}, Martin},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/ja208431r},
-	Issn = {0002-7863, 1520-5126},
-	Journal = {J. Am. Chem. Soc.},
-	Language = {en},
-	Month = dec,
-	Number = {49},
-	Pages = {19944-19952},
-	Shorttitle = {Mechanism for {{Singlet Fission}} in {{Pentacene}} and {{Tetracene}}},
-	Title = {Mechanism for {{Singlet Fission}} in {{Pentacene}} and {{Tetracene}}: {{From Single Exciton}} to {{Two Triplets}}},
-	Volume = {133},
-	Year = {2011},
+	author = {Zimmerman, Paul M. and Bell, Franziska and Casanova, David and {Head-Gordon}, Martin},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/ja208431r},
+	issn = {0002-7863, 1520-5126},
+	journal = {J. Am. Chem. Soc.},
+	language = {en},
+	month = dec,
+	number = {49},
+	pages = {19944-19952},
+	shorttitle = {Mechanism for {{Singlet Fission}} in {{Pentacene}} and {{Tetracene}}},
+	title = {Mechanism for {{Singlet Fission}} in {{Pentacene}} and {{Tetracene}}: {{From Single Exciton}} to {{Two Triplets}}},
+	volume = {133},
+	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ja208431r}}
 
 @article{Zimmerman_2013,
-	Author = {Zimmerman, Paul M. and Musgrave, Charles B. and {Head-Gordon}, Martin},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/ar3001734},
-	Issn = {0001-4842, 1520-4898},
-	Journal = {Acc. Chem. Res.},
-	Language = {en},
-	Month = jun,
-	Number = {6},
-	Pages = {1339-1347},
-	Title = {A {{Correlated Electron View}} of {{Singlet Fission}}},
-	Volume = {46},
-	Year = {2013},
+	author = {Zimmerman, Paul M. and Musgrave, Charles B. and {Head-Gordon}, Martin},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/ar3001734},
+	issn = {0001-4842, 1520-4898},
+	journal = {Acc. Chem. Res.},
+	language = {en},
+	month = jun,
+	number = {6},
+	pages = {1339-1347},
+	title = {A {{Correlated Electron View}} of {{Singlet Fission}}},
+	volume = {46},
+	year = {2013},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ar3001734}}
 
 @article{Zimmerman_2017,
-	Author = {Zimmerman, Paul M.},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1063/1.4977727},
-	Issn = {1089-7690},
-	Journal = {J. Chem. Phys.},
-	Month = {Mar},
-	Number = {10},
-	Pages = {104102},
-	Publisher = {AIP Publishing},
-	Title = {Incremental full configuration interaction},
-	Url = {http://dx.doi.org/10.1063/1.4977727},
-	Volume = {146},
-	Year = {2017},
+	author = {Zimmerman, Paul M.},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1063/1.4977727},
+	issn = {1089-7690},
+	journal = {J. Chem. Phys.},
+	month = {Mar},
+	number = {10},
+	pages = {104102},
+	publisher = {AIP Publishing},
+	title = {Incremental full configuration interaction},
+	url = {http://dx.doi.org/10.1063/1.4977727},
+	volume = {146},
+	year = {2017},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1063/1.4977727}}
 
 @article{Zulfikri_2016,
-	Author = {Zulfikri, Habiburrahman and Amovilli, Claudio and Filippi, Claudia},
-	Date-Added = {2020-01-01 21:36:51 +0100},
-	Date-Modified = {2020-01-01 21:36:52 +0100},
-	Doi = {10.1021/acs.jctc.5b01077},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = mar,
-	Number = {3},
-	Pages = {1157-1168},
-	Title = {Multiple-{{Resonance Local Wave Functions}} for {{Accurate Excited States}} in {{Quantum Monte Carlo}}},
-	Volume = {12},
-	Year = {2016},
+	author = {Zulfikri, Habiburrahman and Amovilli, Claudio and Filippi, Claudia},
+	date-added = {2020-01-01 21:36:51 +0100},
+	date-modified = {2020-01-01 21:36:52 +0100},
+	doi = {10.1021/acs.jctc.5b01077},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = mar,
+	number = {3},
+	pages = {1157-1168},
+	title = {Multiple-{{Resonance Local Wave Functions}} for {{Accurate Excited States}} in {{Quantum Monte Carlo}}},
+	volume = {12},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.5b01077}}
 
 @article{Tozer_1998,
-	Author = {Tozer, David J. and Handy, Nicholas C.},
-	Date-Added = {2020-01-01 21:36:39 +0100},
-	Date-Modified = {2020-01-01 21:36:39 +0100},
-	Doi = {10.1063/1.477711},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = dec,
-	Number = {23},
-	Pages = {10180-10189},
-	Shorttitle = {Improving Virtual {{Kohn}}\textendash{{Sham}} Orbitals and Eigenvalues},
-	Title = {Improving Virtual {{Kohn}}\textendash{{Sham}} Orbitals and Eigenvalues: {{Application}} to Excitation Energies and Static Polarizabilities},
-	Volume = {109},
-	Year = {1998},
+	author = {Tozer, David J. and Handy, Nicholas C.},
+	date-added = {2020-01-01 21:36:39 +0100},
+	date-modified = {2020-01-01 21:36:39 +0100},
+	doi = {10.1063/1.477711},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = dec,
+	number = {23},
+	pages = {10180-10189},
+	shorttitle = {Improving Virtual {{Kohn}}\textendash{{Sham}} Orbitals and Eigenvalues},
+	title = {Improving Virtual {{Kohn}}\textendash{{Sham}} Orbitals and Eigenvalues: {{Application}} to Excitation Energies and Static Polarizabilities},
+	volume = {109},
+	year = {1998},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.477711}}
 
 @article{Tozer_1999,
-	Author = {Tozer, David J. and Amos, Roger D. and Handy, Nicholas C. and Roos, Bjorn O. and {Serrano-Andres}, Luis},
-	Date-Added = {2020-01-01 21:36:39 +0100},
-	Date-Modified = {2020-01-01 21:36:39 +0100},
-	Doi = {10.1080/00268979909482888},
-	Issn = {0026-8976, 1362-3028},
-	Journal = {Mol. Phys.},
-	Language = {en},
-	Month = oct,
-	Number = {7},
-	Pages = {859-868},
-	Title = {Does Density Functional Theory Contribute to the Understanding of Excited States of Unsaturated Organic Compounds?},
-	Volume = {97},
-	Year = {1999},
+	author = {Tozer, David J. and Amos, Roger D. and Handy, Nicholas C. and Roos, Bjorn O. and {Serrano-Andres}, Luis},
+	date-added = {2020-01-01 21:36:39 +0100},
+	date-modified = {2020-01-01 21:36:39 +0100},
+	doi = {10.1080/00268979909482888},
+	issn = {0026-8976, 1362-3028},
+	journal = {Mol. Phys.},
+	language = {en},
+	month = oct,
+	number = {7},
+	pages = {859-868},
+	title = {Does Density Functional Theory Contribute to the Understanding of Excited States of Unsaturated Organic Compounds?},
+	volume = {97},
+	year = {1999},
 	Bdsk-Url-1 = {https://doi.org/10.1080/00268979909482888}}
 
 @article{Tozer_2000,
-	Author = {Tozer, David J. and Handy, Nicholas C.},
-	Date-Added = {2020-01-01 21:36:39 +0100},
-	Date-Modified = {2020-01-01 21:36:39 +0100},
-	Doi = {10.1039/a910321j},
-	File = {/Users/loos/Zotero/storage/TFJP3V8Z/Tozer and Handy - 2000 - On the determination of excitation energies using .pdf},
-	Issn = {14639076, 14639084},
-	Journal = {Phys. Chem. Chem. Phys.},
-	Language = {en},
-	Number = {10},
-	Pages = {2117-2121},
-	Title = {On the Determination of Excitation Energies Using Density Functional Theory},
-	Volume = {2},
-	Year = {2000},
+	author = {Tozer, David J. and Handy, Nicholas C.},
+	date-added = {2020-01-01 21:36:39 +0100},
+	date-modified = {2020-01-01 21:36:39 +0100},
+	doi = {10.1039/a910321j},
+	file = {/Users/loos/Zotero/storage/TFJP3V8Z/Tozer and Handy - 2000 - On the determination of excitation energies using .pdf},
+	issn = {14639076, 14639084},
+	journal = {Phys. Chem. Chem. Phys.},
+	language = {en},
+	number = {10},
+	pages = {2117-2121},
+	title = {On the Determination of Excitation Energies Using Density Functional Theory},
+	volume = {2},
+	year = {2000},
 	Bdsk-Url-1 = {https://doi.org/10.1039/a910321j}}
 
 @article{Tozer_2003,
-	Author = {Tozer, David J.},
-	Date-Added = {2020-01-01 21:36:39 +0100},
-	Date-Modified = {2020-01-01 21:36:39 +0100},
-	Doi = {10.1063/1.1633756},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = dec,
-	Number = {24},
-	Pages = {12697-12699},
-	Title = {Relationship between Long-Range Charge-Transfer Excitation Energy Error and Integer Discontinuity in {{Kohn}}\textendash{{Sham}} Theory},
-	Volume = {119},
-	Year = {2003},
+	author = {Tozer, David J.},
+	date-added = {2020-01-01 21:36:39 +0100},
+	date-modified = {2020-01-01 21:36:39 +0100},
+	doi = {10.1063/1.1633756},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = dec,
+	number = {24},
+	pages = {12697-12699},
+	title = {Relationship between Long-Range Charge-Transfer Excitation Energy Error and Integer Discontinuity in {{Kohn}}\textendash{{Sham}} Theory},
+	volume = {119},
+	year = {2003},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1633756}}
 
 @article{Levine_2006,
-	Author = {Levine, Benjamin G. and Ko, Chaehyuk and Quenneville, Jason and Mart\'Inez, Todd J.},
-	Date-Added = {2020-01-01 21:36:32 +0100},
-	Date-Modified = {2020-01-01 21:36:32 +0100},
-	Doi = {10.1080/00268970500417762},
-	Issn = {0026-8976, 1362-3028},
-	Journal = {Mol. Phys.},
-	Language = {en},
-	Month = mar,
-	Number = {5-7},
-	Pages = {1039-1051},
-	Title = {Conical Intersections and Double Excitations in Time-Dependent Density Functional Theory},
-	Volume = {104},
-	Year = {2006},
+	author = {Levine, Benjamin G. and Ko, Chaehyuk and Quenneville, Jason and Mart\'Inez, Todd J.},
+	date-added = {2020-01-01 21:36:32 +0100},
+	date-modified = {2020-01-01 21:36:32 +0100},
+	doi = {10.1080/00268970500417762},
+	issn = {0026-8976, 1362-3028},
+	journal = {Mol. Phys.},
+	language = {en},
+	month = mar,
+	number = {5-7},
+	pages = {1039-1051},
+	title = {Conical Intersections and Double Excitations in Time-Dependent Density Functional Theory},
+	volume = {104},
+	year = {2006},
 	Bdsk-Url-1 = {https://doi.org/10.1080/00268970500417762}}
 
 @article{Kohn_1965,
-	Author = {W. Kohn and L. J. Sham},
-	Date-Added = {2020-01-01 21:36:05 +0100},
-	Date-Modified = {2020-02-05 20:57:14 +0100},
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-	Journal = {Phys. Rev.},
-	Pages = {A1133--A1138},
-	Title = {Self-Consistent Equations Including Exchange and Correlation Effects},
-	Volume = {140},
-	Year = {1965},
+	author = {W. Kohn and L. J. Sham},
+	date-added = {2020-01-01 21:36:05 +0100},
+	date-modified = {2020-02-05 20:57:14 +0100},
+	doi = {10.1103/PhysRev.140.A1133},
+	journal = {Phys. Rev.},
+	pages = {A1133--A1138},
+	title = {Self-Consistent Equations Including Exchange and Correlation Effects},
+	volume = {140},
+	year = {1965},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRev.140.A1133}}
 
 @article{Angeli_2001,
-	Author = {Angeli, C. and Cimiraglia, R. and Evangelisti, S. and Leininger, T. and Malrieu, J.-P.},
-	Date-Added = {2020-01-01 21:34:29 +0100},
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-	Pages = {10252--10264},
-	Title = {Introduction of {\emph{n}} -Electron Valence States for Multireference Perturbation Theory},
-	Volume = {114},
-	Year = {2001},
+	author = {Angeli, C. and Cimiraglia, R. and Evangelisti, S. and Leininger, T. and Malrieu, J.-P.},
+	date-added = {2020-01-01 21:34:29 +0100},
+	date-modified = {2020-01-01 21:34:41 +0100},
+	doi = {10.1063/1.1361246},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = jun,
+	number = {23},
+	pages = {10252--10264},
+	title = {Introduction of {\emph{n}} -Electron Valence States for Multireference Perturbation Theory},
+	volume = {114},
+	year = {2001},
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 @inbook{Roos_1996,
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-	Year = {1996}}
+	author = {Roos, B. O. and Andersson, K. and Fulscher, M. P. and Malmqvist, P.-A. and {Serrano-Andr\'es}, L.},
+	date-added = {2020-01-01 21:33:33 +0100},
+	date-modified = {2020-01-01 21:33:38 +0100},
+	editor = {I. Prigogine and S. A. Rice},
+	pages = {219--331},
+	publisher = {Wiley, New York},
+	series = {Adv. Chem. Phys.},
+	title = {Multiconfigurational Perturbation Theory: Applications In Electronic Spectroscopy},
+	volume = {XCIII},
+	year = {1996}}
 
 @article{Andersson_1990,
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-	Pages = {5483--5488},
-	Title = {Second-Order Perturbation Theory With a CASSCF Reference Function},
-	Volume = {94},
-	Year = {1990},
+	author = {Andersson, Kerstin. and Malmqvist, Per Aake. and Roos, Bjoern O. and Sadlej, Andrzej J. and Wolinski, Krzysztof.},
+	date-added = {2020-01-01 21:32:36 +0100},
+	date-modified = {2020-01-01 21:41:29 +0100},
+	doi = {10.1021/j100377a012},
+	journal = {J. Phys. Chem.},
+	number = {14},
+	pages = {5483--5488},
+	title = {Second-Order Perturbation Theory With a CASSCF Reference Function},
+	volume = {94},
+	year = {1990},
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 @article{Andersson_1992,
-	Author = {Andersson, Kerstin and Malmqvist, Per-Ake and Roos, Bj{\"o}rn O.},
-	Date-Added = {2020-01-01 21:32:36 +0100},
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-	Pages = {1218--1226},
-	Title = {Second-Order Perturbation Theory With a Complete Active Space Self-Consistent Field Reference Function},
-	Volume = {96},
-	Year = {1992},
+	author = {Andersson, Kerstin and Malmqvist, Per-Ake and Roos, Bj{\"o}rn O.},
+	date-added = {2020-01-01 21:32:36 +0100},
+	date-modified = {2020-01-01 21:41:21 +0100},
+	doi = {10.1063/1.462209},
+	journal = {J. Chem. Phys.},
+	number = {2},
+	pages = {1218--1226},
+	title = {Second-Order Perturbation Theory With a Complete Active Space Self-Consistent Field Reference Function},
+	volume = {96},
+	year = {1992},
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 @article{Roca-Sanjuan_2006,
-	Author = {Daniel {Roca-Sanjuan} and Mercedes Rubio and Manuela Merchan and Luis {Serrano-Andres}},
-	Date-Added = {2019-12-05 10:35:36 +0100},
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-	Journal = {J. Chem. Phys.},
-	Pages = {084302},
-	Title = {Ab Initio Determination of The Ionization Potentials of {{DNA}} And {{RNA}} Nucleobases},
-	Volume = {125},
-	Year = {2006},
+	author = {Daniel {Roca-Sanjuan} and Mercedes Rubio and Manuela Merchan and Luis {Serrano-Andres}},
+	date-added = {2019-12-05 10:35:36 +0100},
+	date-modified = {2019-12-05 10:37:20 +0100},
+	doi = {10.1063/1.2336217},
+	journal = {J. Chem. Phys.},
+	pages = {084302},
+	title = {Ab Initio Determination of The Ionization Potentials of {{DNA}} And {{RNA}} Nucleobases},
+	volume = {125},
+	year = {2006},
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 @article{Govoni_2018,
-	Author = {Marco Govoni and Giulia Galli},
-	Date-Added = {2019-12-05 10:18:07 +0100},
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-	Doi = {10.1021/acs.jctc.7b00952},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {1895--1909},
-	Title = {GW100: Comparison of Methods and Accuracy of Results Obtained with the WEST Code},
-	Volume = {14},
-	Year = {2018},
+	author = {Marco Govoni and Giulia Galli},
+	date-added = {2019-12-05 10:18:07 +0100},
+	date-modified = {2019-12-05 10:19:09 +0100},
+	doi = {10.1021/acs.jctc.7b00952},
+	journal = {J. Chem. Theory Comput.},
+	pages = {1895--1909},
+	title = {GW100: Comparison of Methods and Accuracy of Results Obtained with the WEST Code},
+	volume = {14},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.7b00952}}
 
 @article{Adler_2007,
-	Author = {T. B. Adler and G. Knizia and H.-J. Werner},
-	Date-Added = {2019-10-26 20:55:14 +0200},
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-	Pages = {221106},
-	Title = {A Simple and Efficient {{CCSD(T)-F12}} Approximation},
-	Volume = {127},
-	Year = {2007}}
+	author = {T. B. Adler and G. Knizia and H.-J. Werner},
+	date-added = {2019-10-26 20:55:14 +0200},
+	date-modified = {2019-10-26 20:56:31 +0200},
+	journal = {J. Chem. Phys.},
+	keywords = {10.1063/1.2817618},
+	pages = {221106},
+	title = {A Simple and Efficient {{CCSD(T)-F12}} Approximation},
+	volume = {127},
+	year = {2007}}
 
 @article{Kim_2013,
-	Author = {{Min-Cheol} Kim and Eunji Sim and Kieron Burke},
-	Date-Added = {2019-10-26 20:51:36 +0200},
-	Date-Modified = {2019-10-26 20:52:31 +0200},
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-	Journal = {Phys. Rev. Lett.},
-	Pages = {073003},
-	Title = {Understanding and Reducing Errors in Density Functional Calculations},
-	Volume = {111},
-	Year = {2013},
+	author = {{Min-Cheol} Kim and Eunji Sim and Kieron Burke},
+	date-added = {2019-10-26 20:51:36 +0200},
+	date-modified = {2019-10-26 20:52:31 +0200},
+	doi = {10.1103/PhysRevLett.111.073003},
+	journal = {Phys. Rev. Lett.},
+	pages = {073003},
+	title = {Understanding and Reducing Errors in Density Functional Calculations},
+	volume = {111},
+	year = {2013},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.111.073003}}
 
 @article{Tew_2007,
-	Author = {D. P. Tew and W. Klopper and C. Neiss and C. Hattig},
-	Date-Added = {2019-10-24 20:19:01 +0200},
-	Date-Modified = {2019-10-24 20:19:11 +0200},
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-	Journal = {Phys. Chem. Chem. Phys.},
-	Pages = {1921},
-	Title = {Quintuple-{{$\zeta$}} Quality Coupled-Cluster Correlation Energies With Triple-{{$\zeta$}} Basis Sets},
-	Volume = {9},
-	Year = {2007},
+	author = {D. P. Tew and W. Klopper and C. Neiss and C. Hattig},
+	date-added = {2019-10-24 20:19:01 +0200},
+	date-modified = {2019-10-24 20:19:11 +0200},
+	doi = {10.1039/b617230j},
+	journal = {Phys. Chem. Chem. Phys.},
+	pages = {1921},
+	title = {Quintuple-{{$\zeta$}} Quality Coupled-Cluster Correlation Energies With Triple-{{$\zeta$}} Basis Sets},
+	volume = {9},
+	year = {2007},
 	Bdsk-Url-1 = {https://doi.org/10.1039/b617230j}}
 
 @article{GinTewGarAla-JCTC-18,
-	Author = {Giner, Emmanuel and Tew, David P. and Garniron, Yann and Alavi, Ali},
-	Date-Added = {2019-10-24 20:19:01 +0200},
-	Date-Modified = {2019-10-24 20:19:01 +0200},
-	Doi = {10.1021/acs.jctc.8b00591},
-	Eprint = {https://doi.org/10.1021/acs.jctc.8b00591},
-	Journal = {Journal of Chemical Theory and Computation},
-	Note = {PMID: 30347156},
-	Number = {12},
-	Pages = {6240-6252},
-	Title = {Interplay between Electronic Correlation and Metal--Ligand Delocalization in the Spectroscopy of Transition Metal Compounds: Case Study on a Series of Planar Cu2+ Complexes},
-	Url = {https://doi.org/10.1021/acs.jctc.8b00591},
-	Volume = {14},
-	Year = {2018},
+	author = {Giner, Emmanuel and Tew, David P. and Garniron, Yann and Alavi, Ali},
+	date-added = {2019-10-24 20:19:01 +0200},
+	date-modified = {2019-10-24 20:19:01 +0200},
+	doi = {10.1021/acs.jctc.8b00591},
+	eprint = {https://doi.org/10.1021/acs.jctc.8b00591},
+	journal = {Journal of Chemical Theory and Computation},
+	note = {PMID: 30347156},
+	number = {12},
+	pages = {6240-6252},
+	title = {Interplay between Electronic Correlation and Metal--Ligand Delocalization in the Spectroscopy of Transition Metal Compounds: Case Study on a Series of Planar Cu2+ Complexes},
+	url = {https://doi.org/10.1021/acs.jctc.8b00591},
+	volume = {14},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00591}}
 
 @article{Hattig_2012,
-	Author = {C. Hattig and W. Klopper and A. Kohn and D. P. Tew},
-	Date-Added = {2019-10-24 20:19:01 +0200},
-	Date-Modified = {2019-10-24 20:19:29 +0200},
-	Doi = {10.1021/cr200168z},
-	Journal = {Chem. Rev.},
-	Pages = {4},
-	Title = {Explicitly Correlated Electrons in Molecules},
-	Volume = {112},
-	Year = {2012},
+	author = {C. Hattig and W. Klopper and A. Kohn and D. P. Tew},
+	date-added = {2019-10-24 20:19:01 +0200},
+	date-modified = {2019-10-24 20:19:29 +0200},
+	doi = {10.1021/cr200168z},
+	journal = {Chem. Rev.},
+	pages = {4},
+	title = {Explicitly Correlated Electrons in Molecules},
+	volume = {112},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1021/cr200168z}}
 
 @article{Kesharwani_2018,
-	Author = {M. K. Kesharwani and N. Sylvetsky and A. Kohn and D. P. Tew and Jan M. L. Martin},
-	Date-Added = {2019-10-24 20:19:01 +0200},
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-	Journal = {J. Chem. Phys.},
-	Pages = {154109},
-	Title = {Do CCSD And Approximate CCSD-F12 Variants Converge To The Same Basis Set Limits? The Case Of Atomization Energies And Approximate Ccsd-F12 Variants Converge To The Same Basis Set Limits? The Case Of Atomization Energies},
-	Volume = {149},
-	Year = {2018},
+	author = {M. K. Kesharwani and N. Sylvetsky and A. Kohn and D. P. Tew and Jan M. L. Martin},
+	date-added = {2019-10-24 20:19:01 +0200},
+	date-modified = {2019-10-24 20:19:22 +0200},
+	doi = {10.1063/1.5048665},
+	journal = {J. Chem. Phys.},
+	pages = {154109},
+	title = {Do CCSD And Approximate CCSD-F12 Variants Converge To The Same Basis Set Limits? The Case Of Atomization Energies And Approximate Ccsd-F12 Variants Converge To The Same Basis Set Limits? The Case Of Atomization Energies},
+	volume = {149},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.5048665}}
 
 @article{Booth_2012,
-	Author = {G. H. Booth and D. Cleland and A. Alavi and D. P. Tew},
-	Date-Added = {2019-10-24 20:19:01 +0200},
-	Date-Modified = {2020-10-26 13:07:57 +0100},
-	Doi = {10.1063/1.4762445},
-	Journal = {J. Chem. Phys.},
-	Pages = {164112},
-	Title = {An Explicitly Correlated Approach To Basis Set Incompleteness In Full Configuration Interaction Quantum Monte Carlo},
-	Volume = {137},
-	Year = {2012},
+	author = {G. H. Booth and D. Cleland and A. Alavi and D. P. Tew},
+	date-added = {2019-10-24 20:19:01 +0200},
+	date-modified = {2020-10-26 13:07:57 +0100},
+	doi = {10.1063/1.4762445},
+	journal = {J. Chem. Phys.},
+	pages = {164112},
+	title = {An Explicitly Correlated Approach To Basis Set Incompleteness In Full Configuration Interaction Quantum Monte Carlo},
+	volume = {137},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4762445}}
 
 @article{Tew08,
-	Author = {D. P. Tew},
-	Date-Added = {2019-10-24 20:18:51 +0200},
-	Date-Modified = {2019-10-24 20:18:51 +0200},
-	Journal = {J. Chem. Phys.},
-	Pages = {014104},
-	Title = {Second-order coalescence conditions of molecular wave functions},
-	Volume = {129},
-	Year = {2008}}
+	author = {D. P. Tew},
+	date-added = {2019-10-24 20:18:51 +0200},
+	date-modified = {2019-10-24 20:18:51 +0200},
+	journal = {J. Chem. Phys.},
+	pages = {014104},
+	title = {Second-order coalescence conditions of molecular wave functions},
+	volume = {129},
+	year = {2008}}
 
 @article{Gruneis_2017,
-	Author = {A. Gr\"uneis and S. Hirata and Y.-Y. Ohnishi and S. Ten-no},
-	Date-Added = {2019-10-24 20:18:21 +0200},
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-	Journal = {J. Chem. Phys.},
-	Pages = {080901},
-	Title = {Perspective: Explicitly Correlated Electronic Structure Theory For Complex Systems},
-	Volume = {146},
-	Year = {2017},
+	author = {A. Gr\"uneis and S. Hirata and Y.-Y. Ohnishi and S. Ten-no},
+	date-added = {2019-10-24 20:18:21 +0200},
+	date-modified = {2019-10-24 20:18:44 +0200},
+	doi = {10.1063/1.4976974},
+	journal = {J. Chem. Phys.},
+	pages = {080901},
+	title = {Perspective: Explicitly Correlated Electronic Structure Theory For Complex Systems},
+	volume = {146},
+	year = {2017},
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-	Author = {S. Ten-no},
-	Date-Added = {2019-10-24 20:16:31 +0200},
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-	Journal = {Theor. Chem. Acc.},
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-	Title = {Explicitly Correlated Wave Functions: Summary And Perspective},
-	Volume = {131},
-	Year = {2012}}
+	author = {S. Ten-no},
+	date-added = {2019-10-24 20:16:31 +0200},
+	date-modified = {2019-10-24 20:29:50 +0200},
+	journal = {Theor. Chem. Acc.},
+	pages = {1070},
+	title = {Explicitly Correlated Wave Functions: Summary And Perspective},
+	volume = {131},
+	year = {2012}}
 
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-	Title = {Explicitly Correlated Electronic Structure Theory From R12/F12 Ansatze},
-	Volume = {2},
-	Year = {2012}}
+	author = {S. Ten-no and J. Noga},
+	date-added = {2019-10-24 20:16:31 +0200},
+	date-modified = {2019-10-24 20:29:37 +0200},
+	journal = {WIREs Comput. Mol. Sci.},
+	pages = {114},
+	title = {Explicitly Correlated Electronic Structure Theory From R12/F12 Ansatze},
+	volume = {2},
+	year = {2012}}
 
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-	Year = {2012}}
+	author = {L. Kong and F. A. Bischo and E. F. Valeev},
+	date-added = {2019-10-24 20:16:04 +0200},
+	date-modified = {2019-10-24 20:25:42 +0200},
+	journal = {Chem. Rev.},
+	pages = {75},
+	title = {Explicitly Correlated R12/F12 Methods for Electronic Structure},
+	volume = {112},
+	year = {2012}}
 
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+	author = {J. Noga and W. Kutzelnigg},
+	date-added = {2019-10-24 20:15:35 +0200},
+	date-modified = {2019-10-24 20:26:32 +0200},
+	journal = {J. Chem. Phys.},
+	pages = {7738},
+	title = {Coupled Cluster Theory That Takes Care Of The Correlation Cusp By Inclusion Of Linear Terms In The Interelectronic Coordinates},
+	volume = {101},
+	year = {1994}}
 
 @article{Hylleraas_1929,
-	Author = {E. A. Hylleraas},
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+	author = {E. A. Hylleraas},
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+	journal = {Z. Phys.},
+	pages = {347},
+	title = {Neue Berechnung der Energie des Heliums im Grundzustande, sowie des tiefsten Terms von Ortho-Helium},
+	volume = {54},
+	year = {1929}}
 
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+	author = {W. Kutzelnigg},
+	date-added = {2019-10-24 20:14:19 +0200},
+	date-modified = {2019-10-24 20:25:59 +0200},
+	journal = {Theor. Chim. Acta},
+	pages = {445},
+	title = {R12-Dependent Terms In The Wave Function As Closed Sums Of Partial Wave Amplitudes For Large L},
+	volume = {68},
+	year = {1985}}
 
 @article{Kutzelnigg_1991,
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+	author = {W. Kutzelnigg and W. Klopper},
+	date-added = {2019-10-24 20:14:19 +0200},
+	date-modified = {2019-10-24 20:26:11 +0200},
+	journal = {J. Chem. Phys.},
+	pages = {1985},
+	title = {Wave Functions With Terms Linear In The Interelectronic Coordinates To Take Care Of The Correlation Cusp. I. General Theory},
+	volume = {94},
+	year = {1991}}
 
 @article{Kato_1957,
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+	date-added = {2019-10-24 20:13:25 +0200},
+	date-modified = {2019-10-24 20:25:17 +0200},
+	journal = {Commun. Pure Appl. Math.},
+	pages = {151},
+	title = {On The Eigenfunctions Of Many-Particle Systems In Quantum Mechanics},
+	volume = {10},
+	year = {1957}}
 
 @article{Gori-Giorgi_2006,
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-	Title = {Properties Of Short-Range And Long-Range Correlation Energy Density Functionals From Electron-Electron Coalescence},
-	Volume = {73},
-	Year = {2006}}
+	author = {P. Gori-Giorgi and A. Savin},
+	date-added = {2019-10-24 20:11:03 +0200},
+	date-modified = {2019-10-24 20:24:22 +0200},
+	journal = {Phys. Rev. A},
+	pages = {032506},
+	title = {Properties Of Short-Range And Long-Range Correlation Energy Density Functionals From Electron-Electron Coalescence},
+	volume = {73},
+	year = {2006}}
 
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-	Date-Modified = {2019-10-26 21:03:16 +0200},
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-	Volume = {70},
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+	author = {J. Toulouse and F. Colonna and A. Savin},
+	date-added = {2019-10-24 20:10:53 +0200},
+	date-modified = {2019-10-26 21:03:16 +0200},
+	journal = {Phys. Rev. A},
+	keywords = {density functional theory; wave functions; exchange interactions (electron); electron correlations},
+	number = {6},
+	pages = {062505},
+	publisher = {APS},
+	title = {Long-Range--Short-Range Separation Of The Electron-Electron Interaction In Density-Functional Theory},
+	volume = {70},
+	year = {2004}}
 
 @article{Paziani_2006,
-	Author = {Simone Paziani and Saverio Moroni and Paola Gori-Giorgi and Giovanni B. Bachelet},
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-	Title = {Local-Spin-Density Functional For Multideterminant Density Functional Theory},
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+	author = {Simone Paziani and Saverio Moroni and Paola Gori-Giorgi and Giovanni B. Bachelet},
+	date-added = {2019-10-24 20:10:05 +0200},
+	date-modified = {2019-10-24 20:27:32 +0200},
+	journal = {Phys. Rev. B},
+	pages = {155111},
+	title = {Local-Spin-Density Functional For Multideterminant Density Functional Theory},
+	volume = {73},
+	year = {2006}}
 
 @article{Ferte_2019,
-	Author = {Anthony Fert\'e and Emmanuel Giner and Julien Toulouse},
-	Date-Added = {2019-10-24 20:05:01 +0200},
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-	Journal = {J. Chem. Phys.},
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-	Title = {Range-Separated Multideterminant Density-Functional Theory With A Short-Range Correlation Functional Of The On-Top Pair Density},
-	Volume = {150},
-	Year = {2019},
+	author = {Anthony Fert\'e and Emmanuel Giner and Julien Toulouse},
+	date-added = {2019-10-24 20:05:01 +0200},
+	date-modified = {2019-10-26 21:02:51 +0200},
+	doi = {10.1063/1.5082638},
+	journal = {J. Chem. Phys.},
+	pages = {084103},
+	title = {Range-Separated Multideterminant Density-Functional Theory With A Short-Range Correlation Functional Of The On-Top Pair Density},
+	volume = {150},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.5082638}}
 
 @article{Giner_2019,
-	Author = {E. Giner and A. Scemama and J. Toulouse and P. F. Loos},
-	Date-Added = {2019-10-24 20:02:05 +0200},
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-	Pages = {144118},
-	Title = {Chemically Accurate Excitation Energies With Small Basis Sets},
-	Volume = {151},
-	Year = {2019}}
+	author = {E. Giner and A. Scemama and J. Toulouse and P. F. Loos},
+	date-added = {2019-10-24 20:02:05 +0200},
+	date-modified = {2019-10-24 20:02:10 +0200},
+	journal = {J. Chem. Phys.},
+	pages = {144118},
+	title = {Chemically Accurate Excitation Energies With Small Basis Sets},
+	volume = {151},
+	year = {2019}}
 
 @article{Lieb_1983,
-	Author = {E. H. Lieb},
-	Date-Added = {2019-10-24 20:00:53 +0200},
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-	Volume = {{24}},
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+	author = {E. H. Lieb},
+	date-added = {2019-10-24 20:00:53 +0200},
+	date-modified = {2019-10-24 20:01:02 +0200},
+	journal = {Int. J. Quantum Chem.},
+	pages = {243},
+	title = {Density Functionals For Coulomb Systems},
+	volume = {{24}},
+	year = {1983}}
 
 @article{Levy_1982,
-	Author = {M. Levy},
-	Date-Added = {2019-10-24 20:00:30 +0200},
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-	Volume = {26},
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+	author = {M. Levy},
+	date-added = {2019-10-24 20:00:30 +0200},
+	date-modified = {2019-10-24 20:00:41 +0200},
+	journal = {Phys. Rev. A},
+	pages = {1200},
+	title = {Electron Densities In Search Of Hamiltonians},
+	volume = {26},
+	year = {1982}}
 
 @article{Levy_1979,
-	Author = {M. Levy},
-	Date-Added = {2019-10-24 20:00:01 +0200},
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+	author = {M. Levy},
+	date-added = {2019-10-24 20:00:01 +0200},
+	date-modified = {2019-10-24 20:00:07 +0200},
+	journal = {Proc. Natl. Acad. Sci. U.S.A.},
+	pages = {6062},
+	title = {Universal Variational Functionals Of Electron Densities, First-Order Density Matrices, And Natural Spin-Orbitals And Solution Of The V-Representability Problem},
+	volume = {76},
+	year = {1979}}
 
 @article{Giner_2018,
-	Author = {Emmanuel Giner and Barth\'elemy Pradines and Anthony Fert\'e and Roland Assaraf and Andreas Savin and Julien Toulouse},
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-	Title = {Curing Basis-Set Convergence Of Wave-Function Theory Using Density-Functional Theory: A Systematically Improvable Approach},
-	Volume = {149},
-	Year = {2018}}
+	author = {Emmanuel Giner and Barth\'elemy Pradines and Anthony Fert\'e and Roland Assaraf and Andreas Savin and Julien Toulouse},
+	date-added = {2019-10-24 19:59:35 +0200},
+	date-modified = {2019-10-26 21:03:25 +0200},
+	journal = {J. Chem. Phys.},
+	pages = {194301},
+	title = {Curing Basis-Set Convergence Of Wave-Function Theory Using Density-Functional Theory: A Systematically Improvable Approach},
+	volume = {149},
+	year = {2018}}
 
 @article{Duchemin_2017,
-	Author = {I. Duchemin and J. Li and X. Blase},
-	Date-Added = {2019-10-23 10:08:33 +0200},
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-	Title = {Hybrid and Constrained Resolution-of-Identity Techniques for Coulomb Integrals},
-	Volume = {13},
-	Year = {2017},
+	author = {I. Duchemin and J. Li and X. Blase},
+	date-added = {2019-10-23 10:08:33 +0200},
+	date-modified = {2019-10-23 10:09:31 +0200},
+	doi = {10.1021/acs.jctc.6b01215},
+	journal = {J. Chem. Theory Comput.},
+	pages = {1199},
+	title = {Hybrid and Constrained Resolution-of-Identity Techniques for Coulomb Integrals},
+	volume = {13},
+	year = {2017},
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 @article{Rojas_1995,
-	Author = {H. N. Rojas and R. W. Godby and R. J. Needs},
-	Date-Added = {2019-10-23 10:03:29 +0200},
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-	Pages = {1827},
-	Title = {Space-Time Method for Ab Initio Calculations of Self-Energies and Dielectric Response Functions of Solids},
-	Volume = {74},
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+	author = {H. N. Rojas and R. W. Godby and R. J. Needs},
+	date-added = {2019-10-23 10:03:29 +0200},
+	date-modified = {2019-10-23 10:10:12 +0200},
+	doi = {10.1103/PhysRevLett.74.1827},
+	journal = {Phys. Rev. Lett.},
+	pages = {1827},
+	title = {Space-Time Method for Ab Initio Calculations of Self-Energies and Dielectric Response Functions of Solids},
+	volume = {74},
+	year = {1995},
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 @article{Weigend_2003a,
-	Author = {Weigend, Florian and Furche, Filipp and Ahlrichs, Reinhart},
-	Date-Added = {2019-10-14 10:42:46 +0200},
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-	Page = {12753-12762},
-	Title = {Gaussian basis sets of quadruple zeta valence quality for atoms H-Kr},
-	Volume = {119},
-	Year = {2003},
+	author = {Weigend, Florian and Furche, Filipp and Ahlrichs, Reinhart},
+	date-added = {2019-10-14 10:42:46 +0200},
+	date-modified = {2019-10-14 10:42:56 +0200},
+	doi = {10.1063/1.1627293},
+	journal = {J. Chem. Phys.},
+	page = {12753-12762},
+	title = {Gaussian basis sets of quadruple zeta valence quality for atoms H-Kr},
+	volume = {119},
+	year = {2003},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1627293}}
 
 @article{Weigend_2005a,
-	Author = {Weigend, Florian and Ahlrichs, Reinhart},
-	Date-Added = {2019-10-14 10:42:17 +0200},
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-	Title = {Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy},
-	Volume = {7},
-	Year = {2005},
+	author = {Weigend, Florian and Ahlrichs, Reinhart},
+	date-added = {2019-10-14 10:42:17 +0200},
+	date-modified = {2019-10-14 10:42:27 +0200},
+	doi = {10.1039/b508541a},
+	journal = {Phys. Chem. Chem. Phys.},
+	page = {3297},
+	title = {Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy},
+	volume = {7},
+	year = {2005},
 	Bdsk-Url-1 = {https://doi.org/10.1039/b508541a}}
 
 @article{Jacquemin_2016,
-	Author = {D. Jacquemin and I. Duchemin and X. Blase},
-	Date-Added = {2019-10-14 10:02:38 +0200},
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-	Pages = {957},
-	Title = {Assessment Of The Convergence Of Partially Self-Consistent {{BSE/GW}} Calculations},
-	Volume = {114},
-	Year = {2016},
+	author = {D. Jacquemin and I. Duchemin and X. Blase},
+	date-added = {2019-10-14 10:02:38 +0200},
+	date-modified = {2019-11-02 22:34:02 +0100},
+	doi = {10.1080/00268976.2015.1119901},
+	journal = {Mol. Phys.},
+	pages = {957},
+	title = {Assessment Of The Convergence Of Partially Self-Consistent {{BSE/GW}} Calculations},
+	volume = {114},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1080/00268976.2015.1119901}}
 
 @article{Marini_2009,
-	Author = {Andrea Marini and Conor Hogan and Myrta Gruning and Daniele Varsano},
-	Date-Added = {2019-10-14 09:56:13 +0200},
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-	Pages = {1392},
-	Title = {Yambo: An Ab Initio Tool For Excited State Calculations},
-	Volume = {180},
-	Year = {2009},
+	author = {Andrea Marini and Conor Hogan and Myrta Gruning and Daniele Varsano},
+	date-added = {2019-10-14 09:56:13 +0200},
+	date-modified = {2019-10-14 10:04:07 +0200},
+	doi = {10.1016/j.cpc.2009.02.003},
+	journal = {Comp. Phys. Comm.},
+	pages = {1392},
+	title = {Yambo: An Ab Initio Tool For Excited State Calculations},
+	volume = {180},
+	year = {2009},
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 @article{Deslippe_2012,
-	Author = {Jack Deslippe and Georgy Samsonidze and David A. Strubbe and Manish Jain and Marvin L. Cohen and Steven G. Louie},
-	Date-Added = {2019-10-14 09:53:28 +0200},
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-	Journal = {Comput. Phys. Commun.},
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-	Title = {BerkeleyGW: A Massively Parallel Computer Package for the Calculation of the Quasiparticle and Optical Properties of Materials and Nanostructures},
-	Volume = {183},
-	Year = {2012},
+	author = {Jack Deslippe and Georgy Samsonidze and David A. Strubbe and Manish Jain and Marvin L. Cohen and Steven G. Louie},
+	date-added = {2019-10-14 09:53:28 +0200},
+	date-modified = {2019-10-14 10:04:32 +0200},
+	doi = {10.1016/j.cpc.2011.12.006},
+	journal = {Comput. Phys. Commun.},
+	pages = {1269},
+	title = {BerkeleyGW: A Massively Parallel Computer Package for the Calculation of the Quasiparticle and Optical Properties of Materials and Nanostructures},
+	volume = {183},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1016/j.cpc.2011.12.006}}
 
 @article{Lewis_2019a,
-	Author = {Alan M. Lewis and Timothy C. Berkelbach},
-	Date-Added = {2019-10-12 14:31:33 +0200},
-	Date-Modified = {2019-10-12 14:32:30 +0200},
-	Doi = {10.1021/acs.jctc.8b00995},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {2925},
-	Title = {Vertex Corrections to the Polarizability Do Not Improve the GW Approximation for the Ionization Potential of Molecules},
-	Volume = {15},
-	Year = {2019},
+	author = {Alan M. Lewis and Timothy C. Berkelbach},
+	date-added = {2019-10-12 14:31:33 +0200},
+	date-modified = {2019-10-12 14:32:30 +0200},
+	doi = {10.1021/acs.jctc.8b00995},
+	journal = {J. Chem. Theory Comput.},
+	pages = {2925},
+	title = {Vertex Corrections to the Polarizability Do Not Improve the GW Approximation for the Ionization Potential of Molecules},
+	volume = {15},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00995}}
 
 @article{Krause_2015,
-	Author = {K. Krause and M. E. Harding and W. Klopper},
-	Date-Added = {2019-10-08 22:05:00 +0200},
-	Date-Modified = {2019-10-26 21:04:13 +0200},
-	Journal = {Mol. Phys.},
-	Keywords = {10.1080/00268976.2015.1025113},
-	Pages = {1952},
-	Title = {Coupled-Cluster Reference Values For The Gw27 And Gw100 Test Sets For The Assessment Of Gw Methods},
-	Volume = {113},
-	Year = {2015}}
+	author = {K. Krause and M. E. Harding and W. Klopper},
+	date-added = {2019-10-08 22:05:00 +0200},
+	date-modified = {2019-10-26 21:04:13 +0200},
+	journal = {Mol. Phys.},
+	keywords = {10.1080/00268976.2015.1025113},
+	pages = {1952},
+	title = {Coupled-Cluster Reference Values For The Gw27 And Gw100 Test Sets For The Assessment Of Gw Methods},
+	volume = {113},
+	year = {2015}}
 
 @article{Teke_2019,
-	Author = {N. K. Teke and F. Pavosevic and C. Peng and E. F. Valeev},
-	Date-Added = {2019-10-08 21:02:47 +0200},
-	Date-Modified = {2019-10-26 21:04:55 +0200},
-	Doi = {10.1063/1.5090983},
-	Journal = {J. Chem. Phys.},
-	Pages = {214103},
-	Title = {Explicitly Correlated Renormalized Second-Order Green's Function For Accurate Ionization Potentials Of Closed-Shell Molecules},
-	Volume = {150},
-	Year = {2019},
+	author = {N. K. Teke and F. Pavosevic and C. Peng and E. F. Valeev},
+	date-added = {2019-10-08 21:02:47 +0200},
+	date-modified = {2019-10-26 21:04:55 +0200},
+	doi = {10.1063/1.5090983},
+	journal = {J. Chem. Phys.},
+	pages = {214103},
+	title = {Explicitly Correlated Renormalized Second-Order Green's Function For Accurate Ionization Potentials Of Closed-Shell Molecules},
+	volume = {150},
+	year = {2019},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.5090983}}
 
 @article{Johnson_2018,
-	Author = {C. M. Johnson and A. E. Doran and S. L. Ten-no and S. Hirata},
-	Date-Added = {2019-10-08 20:59:18 +0200},
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-	Journal = {J. Chem. Phys.},
-	Pages = {174112},
-	Title = {Monte Carlo Explicitly Correlated Many-Body Green's Function Theory},
-	Volume = {149},
-	Year = {2018},
+	author = {C. M. Johnson and A. E. Doran and S. L. Ten-no and S. Hirata},
+	date-added = {2019-10-08 20:59:18 +0200},
+	date-modified = {2019-10-26 21:05:11 +0200},
+	doi = {10.1063/1.5054610},
+	journal = {J. Chem. Phys.},
+	pages = {174112},
+	title = {Monte Carlo Explicitly Correlated Many-Body Green's Function Theory},
+	volume = {149},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.5054610}}
 
 @article{Lee_2018,
-	Author = {J. Lee and M. Head-Gordon},
-	Date-Added = {2018-09-01 12:02:40 +0200},
-	Date-Modified = {2018-09-01 12:03:38 +0200},
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-	Journal = {J. Chem. Theory Comput.},
-	Pages = {ASAP article},
-	Title = {Regularized Orbital-Optimized Second-Order M{\o}ller--Plesset Perturbation Theory: A Reliable Fifth-Order-Scaling Electron Correlation Model with Orbital Energy Dependent Regularizers},
-	Year = {2018},
+	author = {J. Lee and M. Head-Gordon},
+	date-added = {2018-09-01 12:02:40 +0200},
+	date-modified = {2018-09-01 12:03:38 +0200},
+	doi = {10.1021/acs.jctc.8b00731},
+	journal = {J. Chem. Theory Comput.},
+	pages = {ASAP article},
+	title = {Regularized Orbital-Optimized Second-Order M{\o}ller--Plesset Perturbation Theory: A Reliable Fifth-Order-Scaling Electron Correlation Model with Orbital Energy Dependent Regularizers},
+	year = {2018},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00731}}
 
 @article{Scuseria_1986,
-	Author = {G. E. Scuseria and T. J. Lee and H. F. {Schaefer III}},
-	Date-Added = {2018-09-01 11:53:43 +0200},
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-	Pages = {236--239},
-	Title = {Accelerating the convergence of the coupled-cluster approach: The use of the DIIS method},
-	Volume = {130},
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+	author = {G. E. Scuseria and T. J. Lee and H. F. {Schaefer III}},
+	date-added = {2018-09-01 11:53:43 +0200},
+	date-modified = {2018-09-01 12:03:54 +0200},
+	doi = {10.1016/0009-2614(86)80461-4},
+	journal = {Chem. Phys. Lett.},
+	pages = {236--239},
+	title = {Accelerating the convergence of the coupled-cluster approach: The use of the DIIS method},
+	volume = {130},
+	year = {1986},
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 @article{Li_2014,
-	Author = {Li, Zhendong and Suo, Bingbing and Liu, Wenjian},
-	Date-Added = {2018-07-08 13:37:50 +0000},
-	Date-Modified = {2018-07-08 13:37:50 +0000},
-	Doi = {10.1063/1.4903986},
-	File = {/Users/loos/Zotero/storage/48QYYQAM/Li et al. - 2014 - First order nonadiabatic coupling matrix elements .pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = dec,
-	Number = {24},
-	Pages = {244105},
-	Shorttitle = {First Order Nonadiabatic Coupling Matrix Elements between Excited States},
-	Title = {First Order Nonadiabatic Coupling Matrix Elements between Excited States: {{Implementation}} and Application at the {{TD}}-{{DFT}} and Pp-{{TDA}} Levels},
-	Volume = {141},
-	Year = {2014},
+	author = {Li, Zhendong and Suo, Bingbing and Liu, Wenjian},
+	date-added = {2018-07-08 13:37:50 +0000},
+	date-modified = {2018-07-08 13:37:50 +0000},
+	doi = {10.1063/1.4903986},
+	file = {/Users/loos/Zotero/storage/48QYYQAM/Li et al. - 2014 - First order nonadiabatic coupling matrix elements .pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = dec,
+	number = {24},
+	pages = {244105},
+	shorttitle = {First Order Nonadiabatic Coupling Matrix Elements between Excited States},
+	title = {First Order Nonadiabatic Coupling Matrix Elements between Excited States: {{Implementation}} and Application at the {{TD}}-{{DFT}} and Pp-{{TDA}} Levels},
+	volume = {141},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4903986}}
 
 @article{Ou_2015,
-	Author = {Ou, Qi and Bellchambers, Gregory D. and Furche, Filipp and Subotnik, Joseph E.},
-	Date-Added = {2018-07-08 13:37:50 +0000},
-	Date-Modified = {2018-07-08 13:37:50 +0000},
-	Doi = {10.1063/1.4906941},
-	File = {/Users/loos/Zotero/storage/8YBF69YK/Ou et al. - 2015 - First-order derivative couplings between excited s.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = feb,
-	Number = {6},
-	Pages = {064114},
-	Title = {First-Order Derivative Couplings between Excited States from Adiabatic {{TDDFT}} Response Theory},
-	Volume = {142},
-	Year = {2015},
+	author = {Ou, Qi and Bellchambers, Gregory D. and Furche, Filipp and Subotnik, Joseph E.},
+	date-added = {2018-07-08 13:37:50 +0000},
+	date-modified = {2018-07-08 13:37:50 +0000},
+	doi = {10.1063/1.4906941},
+	file = {/Users/loos/Zotero/storage/8YBF69YK/Ou et al. - 2015 - First-order derivative couplings between excited s.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = feb,
+	number = {6},
+	pages = {064114},
+	title = {First-Order Derivative Couplings between Excited States from Adiabatic {{TDDFT}} Response Theory},
+	volume = {142},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4906941}}
 
 @article{Zhang_2015,
-	Author = {Zhang, Xing and Herbert, John M.},
-	Date-Added = {2018-07-08 13:37:50 +0000},
-	Date-Modified = {2018-07-08 13:37:50 +0000},
-	Doi = {10.1063/1.4907376},
-	File = {/Users/loos/Zotero/storage/DHB7LEFQ/Zhang and Herbert - 2015 - Analytic derivative couplings in time-dependent de.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = feb,
-	Number = {6},
-	Pages = {064109},
-	Shorttitle = {Analytic Derivative Couplings in Time-Dependent Density Functional Theory},
-	Title = {Analytic Derivative Couplings in Time-Dependent Density Functional Theory: {{Quadratic}} Response Theory versus Pseudo-Wavefunction Approach},
-	Volume = {142},
-	Year = {2015},
+	author = {Zhang, Xing and Herbert, John M.},
+	date-added = {2018-07-08 13:37:50 +0000},
+	date-modified = {2018-07-08 13:37:50 +0000},
+	doi = {10.1063/1.4907376},
+	file = {/Users/loos/Zotero/storage/DHB7LEFQ/Zhang and Herbert - 2015 - Analytic derivative couplings in time-dependent de.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = feb,
+	number = {6},
+	pages = {064109},
+	shorttitle = {Analytic Derivative Couplings in Time-Dependent Density Functional Theory},
+	title = {Analytic Derivative Couplings in Time-Dependent Density Functional Theory: {{Quadratic}} Response Theory versus Pseudo-Wavefunction Approach},
+	volume = {142},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4907376}}
 
 @article{DiSabatino_2015,
-	Author = {Di Sabatino,S. and Berger,J. A. and Reining,L. and Romaniello,P.},
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-	Journal = {J. Chem. Phys.},
-	Number = {2},
-	Pages = {024108},
-	Title = {Reduced density-matrix functional theory: Correlation and spectroscopy},
-	Volume = {143},
-	Year = {2015},
+	author = {Di Sabatino,S. and Berger,J. A. and Reining,L. and Romaniello,P.},
+	doi = {10.1063/1.4926327},
+	journal = {J. Chem. Phys.},
+	number = {2},
+	pages = {024108},
+	title = {Reduced density-matrix functional theory: Correlation and spectroscopy},
+	volume = {143},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4926327}}
 
 @article{Langre_2018,
-	Author = {M. F. Lange and T. C. Berkelbach},
-	Date-Added = {2018-07-06 10:58:12 +0000},
-	Date-Modified = {2018-07-06 11:05:42 +0000},
-	Journal = {arXiv},
-	Pages = {1805.00043},
-	Title = {On The Relation Between Equation-of-Motion Coupled-Cluster Theory and the GW Approximation},
-	Year = {2018}}
+	author = {M. F. Lange and T. C. Berkelbach},
+	date-added = {2018-07-06 10:58:12 +0000},
+	date-modified = {2018-07-06 11:05:42 +0000},
+	journal = {arXiv},
+	pages = {1805.00043},
+	title = {On The Relation Between Equation-of-Motion Coupled-Cluster Theory and the GW Approximation},
+	year = {2018}}
 
 @article{Parker_2016,
-	Author = {Parker, Shane M. and Roy, Saswata and Furche, Filipp},
-	Date-Added = {2018-07-05 14:45:36 +0000},
-	Date-Modified = {2018-07-05 14:45:36 +0000},
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-	File = {/Users/loos/Zotero/storage/GZA8PHWK/Parker et al. - 2016 - Unphysical divergences in response theory.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {The Journal of Chemical Physics},
-	Language = {en},
-	Month = oct,
-	Number = {13},
-	Pages = {134105},
-	Title = {Unphysical Divergences in Response Theory},
-	Volume = {145},
-	Year = {2016},
+	author = {Parker, Shane M. and Roy, Saswata and Furche, Filipp},
+	date-added = {2018-07-05 14:45:36 +0000},
+	date-modified = {2018-07-05 14:45:36 +0000},
+	doi = {10.1063/1.4963749},
+	file = {/Users/loos/Zotero/storage/GZA8PHWK/Parker et al. - 2016 - Unphysical divergences in response theory.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {The Journal of Chemical Physics},
+	language = {en},
+	month = oct,
+	number = {13},
+	pages = {134105},
+	title = {Unphysical Divergences in Response Theory},
+	volume = {145},
+	year = {2016},
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-	Date-Added = {2018-07-04 21:18:18 +0000},
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+	date-added = {2018-07-04 21:18:18 +0000},
+	date-modified = {2018-07-18 13:08:55 +0000},
+	doi = {10.1063/1.464913},
+	journal = {J. Chem. Phys.},
+	pages = {5648--5652},
+	title = {Density-Functional Thermochemistry. III. The Role of Exact Exchange},
+	volume = {98},
+	year = {1993},
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+	date-added = {2018-07-04 21:11:12 +0000},
+	date-modified = {2018-07-18 13:08:03 +0000},
+	doi = {10.1103/PhysRevLett.77.3865},
+	journal = {Phys. Rev. Lett.},
+	pages = {3865--3868},
+	title = {Generalized Gradient Approximation Made Simple},
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+	date-added = {2018-07-04 20:48:56 +0000},
+	date-modified = {2018-07-18 13:07:04 +0000},
+	doi = {10.1016/S0065-3276(08)60019-2},
+	journal = {Adv. Quantum Chem.},
+	pages = {141--205},
+	title = {Molecular Integrals Over Gaussian Basis Functions},
+	volume = {25},
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+	date-modified = {2018-07-04 15:38:19 +0000},
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+	journal = {Nature},
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+	title = {Pade resummation of many-body perturbation theory},
+	volume = {7},
+	year = {2017},
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 @book{HerzbergBook,
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+	publisher = {van Nostrand Reinhold Company},
+	title = {Molecular Spectra and Molecular Structure: IV. Constants of diatomic molecules},
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-	Date-Added = {2018-06-30 20:21:46 +0000},
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+	author = {N. T. Maitra and F. Zhang, R. J. Cave and K. Burke},
+	date-added = {2018-06-30 20:21:46 +0000},
+	date-modified = {2018-06-30 20:23:01 +0000},
+	doi = {10.1063/1.1651060},
+	journal = {J. Chem. Phys.},
+	pages = {5932},
+	title = {Double excitations within time-dependent density functional theory linear response},
+	volume = {120},
+	year = {2004},
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 @article{Curtiss_1991,
-	Author = {Curtiss, Larry A. and Raghavachari, Krishnan and Trucks, Gary W. and Pople, John A.},
-	Date-Added = {2018-04-23 07:38:41 +0000},
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-	Title = {Gaussian-2 Theory for Molecular Energies of First- and Second-row Compounds},
-	Volume = {94},
-	Year = {1991},
+	author = {Curtiss, Larry A. and Raghavachari, Krishnan and Trucks, Gary W. and Pople, John A.},
+	date-added = {2018-04-23 07:38:41 +0000},
+	date-modified = {2018-04-23 07:38:41 +0000},
+	doi = {10.1063/1.460205},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = jun,
+	number = {11},
+	pages = {7221-7230},
+	title = {Gaussian-2 Theory for Molecular Energies of First- and Second-row Compounds},
+	volume = {94},
+	year = {1991},
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 @article{Silva-Junior_2010,
-	Author = {Silva-Junior, Mario R. and Schreiber, Marko and Sauer, Stephan P. A. and Thiel, Walter},
-	Date-Added = {2018-04-23 07:38:41 +0000},
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-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = nov,
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-	Pages = {174318},
-	Shorttitle = {Benchmarks of Electronically Excited States},
-	Title = {Benchmarks of Electronically Excited States: {{Basis}} Set Effects on {{CASPT2}} Results},
-	Volume = {133},
-	Year = {2010},
+	author = {Silva-Junior, Mario R. and Schreiber, Marko and Sauer, Stephan P. A. and Thiel, Walter},
+	date-added = {2018-04-23 07:38:41 +0000},
+	date-modified = {2018-04-23 07:38:41 +0000},
+	doi = {10.1063/1.3499598},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = nov,
+	number = {17},
+	pages = {174318},
+	shorttitle = {Benchmarks of Electronically Excited States},
+	title = {Benchmarks of Electronically Excited States: {{Basis}} Set Effects on {{CASPT2}} Results},
+	volume = {133},
+	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3499598}}
 
 @article{Silva-Junior_2010b,
-	Author = {Silva-Junior, Mario R. and Sauer, Stephan P.A. and Schreiber, Marko and Thiel, Walter},
-	Date-Added = {2018-04-23 07:38:41 +0000},
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-	Journal = {Mol. Phys.},
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-	Pages = {453-465},
-	Shorttitle = {Basis Set Effects on Coupled Cluster Benchmarks of Electronically Excited States},
-	Title = {Basis Set Effects on Coupled Cluster Benchmarks of Electronically Excited States: {{CC3}}, {{CCSDR}}(3) and {{CC2}}},
-	Volume = {108},
-	Year = {2010},
+	author = {Silva-Junior, Mario R. and Sauer, Stephan P.A. and Schreiber, Marko and Thiel, Walter},
+	date-added = {2018-04-23 07:38:41 +0000},
+	date-modified = {2018-04-23 07:38:41 +0000},
+	doi = {10.1080/00268970903549047},
+	issn = {0026-8976, 1362-3028},
+	journal = {Mol. Phys.},
+	language = {en},
+	month = feb,
+	number = {3-4},
+	pages = {453-465},
+	shorttitle = {Basis Set Effects on Coupled Cluster Benchmarks of Electronically Excited States},
+	title = {Basis Set Effects on Coupled Cluster Benchmarks of Electronically Excited States: {{CC3}}, {{CCSDR}}(3) and {{CC2}}},
+	volume = {108},
+	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1080/00268970903549047}}
 
 @article{Dolgounitcheva_2016,
-	Author = {Dolgounitcheva, O. and D{\'\i}az-Tinoco, Manuel and Zakrzewski, V. G. and Richard, Ryan M. and Marom, Noa and Sherrill, C. David and Ortiz, J. V.},
-	Date-Added = {2018-04-22 16:22:34 +0000},
-	Date-Modified = {2018-04-22 16:22:34 +0000},
-	Doi = {10.1021/acs.jctc.5b00872},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = feb,
-	Number = {2},
-	Pages = {627-637},
-	Shorttitle = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules IV}}},
-	Title = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules IV}}: {{Electron}}-{{Propagator Methods}}},
-	Volume = {12},
-	Year = {2016},
+	author = {Dolgounitcheva, O. and D{\'\i}az-Tinoco, Manuel and Zakrzewski, V. G. and Richard, Ryan M. and Marom, Noa and Sherrill, C. David and Ortiz, J. V.},
+	date-added = {2018-04-22 16:22:34 +0000},
+	date-modified = {2018-04-22 16:22:34 +0000},
+	doi = {10.1021/acs.jctc.5b00872},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = feb,
+	number = {2},
+	pages = {627-637},
+	shorttitle = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules IV}}},
+	title = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules IV}}: {{Electron}}-{{Propagator Methods}}},
+	volume = {12},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.5b00872}}
 
 @article{Gallandi_2016,
-	Author = {Gallandi, Lukas and Marom, Noa and Rinke, Patrick and K{\"o}rzd{\"o}rfer, Thomas},
-	Date-Added = {2018-04-22 16:22:34 +0000},
-	Date-Modified = {2018-04-22 16:22:34 +0000},
-	Doi = {10.1021/acs.jctc.5b00873},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = feb,
-	Number = {2},
-	Pages = {605-614},
-	Shorttitle = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules II}}},
-	Title = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules II}}: {{Non}}-{{Empirically Tuned Long}}-{{Range Corrected Hybrid Functionals}}},
-	Volume = {12},
-	Year = {2016},
+	author = {Gallandi, Lukas and Marom, Noa and Rinke, Patrick and K{\"o}rzd{\"o}rfer, Thomas},
+	date-added = {2018-04-22 16:22:34 +0000},
+	date-modified = {2018-04-22 16:22:34 +0000},
+	doi = {10.1021/acs.jctc.5b00873},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = feb,
+	number = {2},
+	pages = {605-614},
+	shorttitle = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules II}}},
+	title = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules II}}: {{Non}}-{{Empirically Tuned Long}}-{{Range Corrected Hybrid Functionals}}},
+	volume = {12},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.5b00873}}
 
 @article{Knight_2016,
-	Author = {Knight, Joseph W. and Wang, Xiaopeng and Gallandi, Lukas and Dolgounitcheva, Olga and Ren, Xinguo and Ortiz, J. Vincent and Rinke, Patrick and K{\"o}rzd{\"o}rfer, Thomas and Marom, Noa},
-	Date-Added = {2018-04-22 16:22:34 +0000},
-	Date-Modified = {2018-04-22 16:22:34 +0000},
-	Doi = {10.1021/acs.jctc.5b00871},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = feb,
-	Number = {2},
-	Pages = {615-626},
-	Shorttitle = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules III}}},
-	Title = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules III}}: {{A Benchmark}} of {{{\emph{GW}}}} {{Methods}}},
-	Volume = {12},
-	Year = {2016},
+	author = {Knight, Joseph W. and Wang, Xiaopeng and Gallandi, Lukas and Dolgounitcheva, Olga and Ren, Xinguo and Ortiz, J. Vincent and Rinke, Patrick and K{\"o}rzd{\"o}rfer, Thomas and Marom, Noa},
+	date-added = {2018-04-22 16:22:34 +0000},
+	date-modified = {2018-04-22 16:22:34 +0000},
+	doi = {10.1021/acs.jctc.5b00871},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = feb,
+	number = {2},
+	pages = {615-626},
+	shorttitle = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules III}}},
+	title = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules III}}: {{A Benchmark}} of {{{\emph{GW}}}} {{Methods}}},
+	volume = {12},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.5b00871}}
 
 @article{Maggio_2017,
-	Author = {Maggio, Emanuele and Liu, Peitao and {van Setten}, Michiel J. and Kresse, Georg},
-	Date-Added = {2018-04-22 16:22:34 +0000},
-	Date-Modified = {2018-04-22 16:22:34 +0000},
-	Doi = {10.1021/acs.jctc.6b01150},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = feb,
-	Number = {2},
-	Pages = {635-648},
-	Shorttitle = {{{{\emph{GW}}}} 100},
-	Title = {{{{\emph{GW}}}} 100: {{A Plane Wave Perspective}} for {{Small Molecules}}},
-	Volume = {13},
-	Year = {2017},
+	author = {Maggio, Emanuele and Liu, Peitao and {van Setten}, Michiel J. and Kresse, Georg},
+	date-added = {2018-04-22 16:22:34 +0000},
+	date-modified = {2018-04-22 16:22:34 +0000},
+	doi = {10.1021/acs.jctc.6b01150},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = feb,
+	number = {2},
+	pages = {635-648},
+	shorttitle = {{{{\emph{GW}}}} 100},
+	title = {{{{\emph{GW}}}} 100: {{A Plane Wave Perspective}} for {{Small Molecules}}},
+	volume = {13},
+	year = {2017},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.6b01150}}
 
 @article{Richard_2016,
-	Author = {Richard, Ryan M. and Marshall, Michael S. and Dolgounitcheva, O. and Ortiz, J. V. and Br{\'e}das, Jean-Luc and Marom, Noa and Sherrill, C. David},
-	Date-Added = {2018-04-22 16:22:34 +0000},
-	Date-Modified = {2018-04-22 16:22:34 +0000},
-	Doi = {10.1021/acs.jctc.5b00875},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = feb,
-	Number = {2},
-	Pages = {595-604},
-	Title = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules I}}. {{Reference Data}} at the {{CCSD}}({{T}}) {{Complete Basis Set Limit}}},
-	Volume = {12},
-	Year = {2016},
+	author = {Richard, Ryan M. and Marshall, Michael S. and Dolgounitcheva, O. and Ortiz, J. V. and Br{\'e}das, Jean-Luc and Marom, Noa and Sherrill, C. David},
+	date-added = {2018-04-22 16:22:34 +0000},
+	date-modified = {2018-04-22 16:22:34 +0000},
+	doi = {10.1021/acs.jctc.5b00875},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = feb,
+	number = {2},
+	pages = {595-604},
+	title = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules I}}. {{Reference Data}} at the {{CCSD}}({{T}}) {{Complete Basis Set Limit}}},
+	volume = {12},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.5b00875}}
 
 @article{Rusakov_2014,
-	Author = {Rusakov, Alexander A. and Phillips, Jordan J. and Zgid, Dominika},
-	Date-Added = {2018-04-22 16:22:34 +0000},
-	Date-Modified = {2018-04-22 16:22:34 +0000},
-	Doi = {10.1063/1.4901432},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = nov,
-	Number = {19},
-	Pages = {194105},
-	Title = {Local {{Hamiltonians}} for Quantitative {{Green}}'s Function Embedding Methods},
-	Volume = {141},
-	Year = {2014},
+	author = {Rusakov, Alexander A. and Phillips, Jordan J. and Zgid, Dominika},
+	date-added = {2018-04-22 16:22:34 +0000},
+	date-modified = {2018-04-22 16:22:34 +0000},
+	doi = {10.1063/1.4901432},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = nov,
+	number = {19},
+	pages = {194105},
+	title = {Local {{Hamiltonians}} for Quantitative {{Green}}'s Function Embedding Methods},
+	volume = {141},
+	year = {2014},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.4901432}}
 
 @book{FetterBook,
-	Author = {A. L. Fetter and J. D. Waleck},
-	Date-Added = {2018-04-21 09:25:00 +0000},
-	Date-Modified = {2018-04-21 09:25:48 +0000},
-	Publisher = {McGraw Hill, San Francisco},
-	Title = {Quantum Theory of Many Particle Systems},
-	Year = {1971}}
+	author = {A. L. Fetter and J. D. Waleck},
+	date-added = {2018-04-21 09:25:00 +0000},
+	date-modified = {2018-04-21 09:25:48 +0000},
+	publisher = {McGraw Hill, San Francisco},
+	title = {Quantum Theory of Many Particle Systems},
+	year = {1971}}
 
 @article{Luttinger_1960,
-	Author = {Luttinger, J. M. and Ward, J. C.},
-	Date-Added = {2018-03-12 11:16:46 +0000},
-	Date-Modified = {2018-03-12 11:16:46 +0000},
-	Doi = {10.1103/PhysRev.118.1417},
-	Issn = {0031-899X},
-	Journal = {Physical Review},
-	Language = {en},
-	Month = jun,
-	Number = {5},
-	Pages = {1417--1427},
-	Title = {Ground-{State} {Energy} of a {Many}-{Fermion} {System}. {II}},
-	Url = {https://link.aps.org/doi/10.1103/PhysRev.118.1417},
-	Urldate = {2018-03-12},
-	Volume = {118},
-	Year = {1960},
+	author = {Luttinger, J. M. and Ward, J. C.},
+	date-added = {2018-03-12 11:16:46 +0000},
+	date-modified = {2018-03-12 11:16:46 +0000},
+	doi = {10.1103/PhysRev.118.1417},
+	issn = {0031-899X},
+	journal = {Physical Review},
+	language = {en},
+	month = jun,
+	number = {5},
+	pages = {1417--1427},
+	title = {Ground-{State} {Energy} of a {Many}-{Fermion} {System}. {II}},
+	url = {https://link.aps.org/doi/10.1103/PhysRev.118.1417},
+	urldate = {2018-03-12},
+	volume = {118},
+	year = {1960},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRev.118.1417},
 	Bdsk-Url-2 = {https://dx.doi.org/10.1103/PhysRev.118.1417}}
 
 @article{Ren_2012,
-	Author = {Ren, Xinguo and Rinke, Patrick and Joas, Christian and Scheffler, Matthias},
-	Date-Added = {2018-03-08 21:19:25 +0000},
-	Date-Modified = {2018-03-08 21:19:25 +0000},
-	Doi = {10.1007/s10853-012-6570-4},
-	Issn = {0022-2461, 1573-4803},
-	Journal = {J. Mater. Sci.},
-	Language = {en},
-	Month = nov,
-	Number = {21},
-	Pages = {7447--7471},
-	Title = {Random-Phase Approximation and Its Applications in Computational Chemistry and Materials Science},
-	Volume = {47},
-	Year = {2012},
+	author = {Ren, Xinguo and Rinke, Patrick and Joas, Christian and Scheffler, Matthias},
+	date-added = {2018-03-08 21:19:25 +0000},
+	date-modified = {2018-03-08 21:19:25 +0000},
+	doi = {10.1007/s10853-012-6570-4},
+	issn = {0022-2461, 1573-4803},
+	journal = {J. Mater. Sci.},
+	language = {en},
+	month = nov,
+	number = {21},
+	pages = {7447--7471},
+	title = {Random-Phase Approximation and Its Applications in Computational Chemistry and Materials Science},
+	volume = {47},
+	year = {2012},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1007/s10853-012-6570-4}}
 
 @article{Wetherell_2018,
-	Author = {Wetherell, J. and Hodgson, M. J. P. and Godby, R. W.},
-	Date-Added = {2018-03-08 21:16:56 +0000},
-	Date-Modified = {2018-04-14 07:32:38 +0000},
-	Doi = {10.1103/PhysRevB.97.121102},
-	Issn = {2469-9950, 2469-9969},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = mar,
-	Number = {12},
-	Pages = {121102},
-	Title = {G {{W}} Self-Screening Error and Its Correction Using a Local Density Functional},
-	Volume = {97},
-	Year = {2018},
+	author = {Wetherell, J. and Hodgson, M. J. P. and Godby, R. W.},
+	date-added = {2018-03-08 21:16:56 +0000},
+	date-modified = {2018-04-14 07:32:38 +0000},
+	doi = {10.1103/PhysRevB.97.121102},
+	issn = {2469-9950, 2469-9969},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = mar,
+	number = {12},
+	pages = {121102},
+	title = {G {{W}} Self-Screening Error and Its Correction Using a Local Density Functional},
+	volume = {97},
+	year = {2018},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.97.121102}}
 
 @article{Aryasetiawan_2012,
-	Author = {Aryasetiawan, F. and Sakuma, R. and Karlsson, K.},
-	Date-Added = {2018-03-06 20:22:33 +0000},
-	Date-Modified = {2018-04-14 07:25:24 +0000},
-	Doi = {10.1103/PhysRevB.85.035106},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = jan,
-	Number = {3},
-	Pages = {035106},
-	Title = {G {{W}} Approximation with Self-Screening Correction},
-	Volume = {85},
-	Year = {2012},
+	author = {Aryasetiawan, F. and Sakuma, R. and Karlsson, K.},
+	date-added = {2018-03-06 20:22:33 +0000},
+	date-modified = {2018-04-14 07:25:24 +0000},
+	doi = {10.1103/PhysRevB.85.035106},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = jan,
+	number = {3},
+	pages = {035106},
+	title = {G {{W}} Approximation with Self-Screening Correction},
+	volume = {85},
+	year = {2012},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.85.035106}}
 
 @article{Phillips_2014,
-	Author = {Phillips, Jordan J. and Zgid, Dominika},
-	Date-Added = {2018-03-06 19:42:15 +0000},
-	Date-Modified = {2018-03-06 19:42:15 +0000},
-	Doi = {10.1063/1.4884951},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = jun,
-	Number = {24},
-	Pages = {241101},
-	Shorttitle = {Communication},
-	Title = {Communication: {{The}} Description of Strong Correlation within Self-Consistent {{Green}}'s Function Second-Order Perturbation Theory},
-	Volume = {140},
-	Year = {2014},
+	author = {Phillips, Jordan J. and Zgid, Dominika},
+	date-added = {2018-03-06 19:42:15 +0000},
+	date-modified = {2018-03-06 19:42:15 +0000},
+	doi = {10.1063/1.4884951},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = jun,
+	number = {24},
+	pages = {241101},
+	shorttitle = {Communication},
+	title = {Communication: {{The}} Description of Strong Correlation within Self-Consistent {{Green}}'s Function Second-Order Perturbation Theory},
+	volume = {140},
+	year = {2014},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4884951}}
 
 @article{Phillips_2015,
-	Author = {Phillips, Jordan J. and Kananenka, Alexei A. and Zgid, Dominika},
-	Date-Added = {2018-03-06 19:42:15 +0000},
-	Date-Modified = {2018-03-06 19:42:15 +0000},
-	Doi = {10.1063/1.4921259},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = may,
-	Number = {19},
-	Pages = {194108},
-	Title = {Fractional Charge and Spin Errors in Self-Consistent {{Green}}'s Function Theory},
-	Volume = {142},
-	Year = {2015},
+	author = {Phillips, Jordan J. and Kananenka, Alexei A. and Zgid, Dominika},
+	date-added = {2018-03-06 19:42:15 +0000},
+	date-modified = {2018-03-06 19:42:15 +0000},
+	doi = {10.1063/1.4921259},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = may,
+	number = {19},
+	pages = {194108},
+	title = {Fractional Charge and Spin Errors in Self-Consistent {{Green}}'s Function Theory},
+	volume = {142},
+	year = {2015},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4921259}}
 
 @article{Rusakov_2016,
-	Author = {Rusakov, Alexander A. and Zgid, Dominika},
-	Date-Added = {2018-03-06 19:42:15 +0000},
-	Date-Modified = {2018-03-06 19:42:15 +0000},
-	Doi = {10.1063/1.4940900},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = feb,
-	Number = {5},
-	Pages = {054106},
-	Title = {Self-Consistent Second-Order {{Green}}'s Function Perturbation Theory for Periodic Systems},
-	Volume = {144},
-	Year = {2016},
+	author = {Rusakov, Alexander A. and Zgid, Dominika},
+	date-added = {2018-03-06 19:42:15 +0000},
+	date-modified = {2018-03-06 19:42:15 +0000},
+	doi = {10.1063/1.4940900},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = feb,
+	number = {5},
+	pages = {054106},
+	title = {Self-Consistent Second-Order {{Green}}'s Function Perturbation Theory for Periodic Systems},
+	volume = {144},
+	year = {2016},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4940900}}
 
 @book{Stefanucci_2013,
-	Abstract = {"The Green's function method is one of the most powerful and versatile formalisms in physics, and its nonequilibrium version has proved invaluable in many research fields. This book provides a unique, self-contained introduction to nonequilibrium many-body theory. Starting with basic quantum mechanics, the authors introduce the equilibrium and nonequilibrium Green's function formalisms within a unified framework called the contour formalism. The physical content of the contour Green's functions and the diagrammatic expansions are explained with a focus on the time-dependent aspect. Every result is derived step-by-step, critically discussed and then applied to different physical systems, ranging from molecules and nanostructures to metals and insulators. With an abundance of illustrative examples, this accessible book is ideal for graduate students and researchers who are interested in excited state properties of matter and nonequilibrium physics"--},
-	Address = {Cambridge},
-	Author = {Stefanucci, Gianluca and van Leeuwen, Robert},
-	Date-Added = {2018-03-06 19:42:15 +0000},
-	Date-Modified = {2018-03-06 19:42:15 +0000},
-	Isbn = {978-0-521-76617-3},
-	Keywords = {Many-body problem,Quantum theory,Green's functions,Mathematics,SCIENCE / Physics},
-	Lccn = {QC174.17.G68 S74 2013},
-	Publisher = {{Cambridge University Press}},
-	Shorttitle = {Nonequilibrium Many-Body Theory of Quantum Systems},
-	Title = {Nonequilibrium Many-Body Theory of Quantum Systems: A Modern Introduction},
-	Year = {2013}}
+	abstract = {"The Green's function method is one of the most powerful and versatile formalisms in physics, and its nonequilibrium version has proved invaluable in many research fields. This book provides a unique, self-contained introduction to nonequilibrium many-body theory. Starting with basic quantum mechanics, the authors introduce the equilibrium and nonequilibrium Green's function formalisms within a unified framework called the contour formalism. The physical content of the contour Green's functions and the diagrammatic expansions are explained with a focus on the time-dependent aspect. Every result is derived step-by-step, critically discussed and then applied to different physical systems, ranging from molecules and nanostructures to metals and insulators. With an abundance of illustrative examples, this accessible book is ideal for graduate students and researchers who are interested in excited state properties of matter and nonequilibrium physics"--},
+	address = {Cambridge},
+	author = {Stefanucci, Gianluca and van Leeuwen, Robert},
+	date-added = {2018-03-06 19:42:15 +0000},
+	date-modified = {2018-03-06 19:42:15 +0000},
+	isbn = {978-0-521-76617-3},
+	keywords = {Many-body problem,Quantum theory,Green's functions,Mathematics,SCIENCE / Physics},
+	lccn = {QC174.17.G68 S74 2013},
+	publisher = {{Cambridge University Press}},
+	shorttitle = {Nonequilibrium Many-Body Theory of Quantum Systems},
+	title = {Nonequilibrium Many-Body Theory of Quantum Systems: A Modern Introduction},
+	year = {2013}}
 
 @article{vonBarth_1996,
-	Author = {{von Barth}, Ulf and Holm, Bengt},
-	Date-Added = {2018-03-06 19:42:15 +0000},
-	Date-Modified = {2018-07-05 09:37:45 +0000},
-	Doi = {10.1103/PhysRevB.54.8411},
-	File = {/Users/loos/Zotero/storage/QZN2CFQX/vonBarth_1996.pdf},
-	Journal = {Phys. Rev. B},
-	Number = {12},
-	Pages = {8411},
-	Shorttitle = {Self-Consistent {{GW}} 0 Results for the Electron Gas},
-	Title = {Self-Consistent {{GW}} 0 Results for the Electron Gas: {{Fixed}} Screened Potential {{W}} 0 within the Random-Phase Approximation},
-	Volume = {54},
-	Year = {1996},
+	author = {{von Barth}, Ulf and Holm, Bengt},
+	date-added = {2018-03-06 19:42:15 +0000},
+	date-modified = {2018-07-05 09:37:45 +0000},
+	doi = {10.1103/PhysRevB.54.8411},
+	file = {/Users/loos/Zotero/storage/QZN2CFQX/vonBarth_1996.pdf},
+	journal = {Phys. Rev. B},
+	number = {12},
+	pages = {8411},
+	shorttitle = {Self-Consistent {{GW}} 0 Results for the Electron Gas},
+	title = {Self-Consistent {{GW}} 0 Results for the Electron Gas: {{Fixed}} Screened Potential {{W}} 0 within the Random-Phase Approximation},
+	volume = {54},
+	year = {1996},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevB.54.8411}}
 
 @article{Casida_1989,
-	Author = {Casida, Mark E. and Chong, Delano P.},
-	Date-Added = {2018-03-03 16:36:07 +0000},
-	Date-Modified = {2018-07-18 13:20:19 +0000},
-	Doi = {10.1103/PhysRevA.40.4837},
-	File = {/Users/loos/Zotero/storage/Q9SZH8DT/Casida_1989.pdf},
-	Journal = {Phys. Rev. A},
-	Number = {9},
-	Pages = {4837--4848},
-	Title = {Physical Interpretation and Assessment of the {{Coulomb}}-Hole and Screened-Exchange Approximation for Molecules},
-	Volume = {40},
-	Year = {1989},
+	author = {Casida, Mark E. and Chong, Delano P.},
+	date-added = {2018-03-03 16:36:07 +0000},
+	date-modified = {2018-07-18 13:20:19 +0000},
+	doi = {10.1103/PhysRevA.40.4837},
+	file = {/Users/loos/Zotero/storage/Q9SZH8DT/Casida_1989.pdf},
+	journal = {Phys. Rev. A},
+	number = {9},
+	pages = {4837--4848},
+	title = {Physical Interpretation and Assessment of the {{Coulomb}}-Hole and Screened-Exchange Approximation for Molecules},
+	volume = {40},
+	year = {1989},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.40.4837}}
 
 @article{Casida_1991,
-	Author = {Casida, Mark E. and Chong, Delano P.},
-	Date-Added = {2018-03-03 16:36:07 +0000},
-	Date-Modified = {2018-07-18 13:19:04 +0000},
-	Doi = {10.1103/PhysRevA.44.5773},
-	File = {/Users/loos/Zotero/storage/56Z844J7/Casida_1991a.pdf},
-	Journal = {Phys. Rev. A},
-	Number = {9},
-	Pages = {5773--5783},
-	Shorttitle = {Simplified {{Green}}-Function Approximations},
-	Title = {Simplified {{Green}}-Function Approximations: {{Further}} Assessment of a Polarization Model for Second-Order Calculation of Outer-Valence Ionization Potentials in Molecules},
-	Volume = {44},
-	Year = {1991},
+	author = {Casida, Mark E. and Chong, Delano P.},
+	date-added = {2018-03-03 16:36:07 +0000},
+	date-modified = {2018-07-18 13:19:04 +0000},
+	doi = {10.1103/PhysRevA.44.5773},
+	file = {/Users/loos/Zotero/storage/56Z844J7/Casida_1991a.pdf},
+	journal = {Phys. Rev. A},
+	number = {9},
+	pages = {5773--5783},
+	shorttitle = {Simplified {{Green}}-Function Approximations},
+	title = {Simplified {{Green}}-Function Approximations: {{Further}} Assessment of a Polarization Model for Second-Order Calculation of Outer-Valence Ionization Potentials in Molecules},
+	volume = {44},
+	year = {1991},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevA.44.5773}}
 
 @article{Casida_1991a,
-	Author = {Casida, Mark E. and Chong, Delano P.},
-	Date-Added = {2018-03-03 16:36:07 +0000},
-	Date-Modified = {2018-07-18 13:19:44 +0000},
-	Doi = {10.1002/qua.560400206},
-	File = {/Users/loos/Zotero/storage/XHIUNWXB/Casida_1991b.pdf},
-	Journal = {Int. J. Quantum Chem.},
-	Number = {2},
-	Pages = {225--242},
-	Title = {Quasi-Particle Equation from the Configuration-Interaction ({{CI}}) Wave-Function Method},
-	Volume = {40},
-	Year = {1991},
+	author = {Casida, Mark E. and Chong, Delano P.},
+	date-added = {2018-03-03 16:36:07 +0000},
+	date-modified = {2018-07-18 13:19:44 +0000},
+	doi = {10.1002/qua.560400206},
+	file = {/Users/loos/Zotero/storage/XHIUNWXB/Casida_1991b.pdf},
+	journal = {Int. J. Quantum Chem.},
+	number = {2},
+	pages = {225--242},
+	title = {Quasi-Particle Equation from the Configuration-Interaction ({{CI}}) Wave-Function Method},
+	volume = {40},
+	year = {1991},
 	Bdsk-Url-1 = {https://doi.org/10.1002/qua.560400206}}
 
 @article{Friedrich_2006a,
-	Author = {Friedrich, Christoph and Schindlmayr, Arno and Bl{\"u}gel, Stefan and Kotani, Takao},
-	Date-Added = {2018-03-03 16:36:07 +0000},
-	Date-Modified = {2018-04-14 07:26:06 +0000},
-	Doi = {10.1103/PhysRevB.74.045104},
-	File = {/Users/loos/Zotero/storage/E7JYZIM2/Friedrich_2006.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = jul,
-	Number = {4},
-	Pages = {045104},
-	Title = {Elimination of the Linearization Error in {{{\emph{GW}}}} Calculations Based on the Linearized Augmented-Plane-Wave Method},
-	Volume = {74},
-	Year = {2006},
+	author = {Friedrich, Christoph and Schindlmayr, Arno and Bl{\"u}gel, Stefan and Kotani, Takao},
+	date-added = {2018-03-03 16:36:07 +0000},
+	date-modified = {2018-04-14 07:26:06 +0000},
+	doi = {10.1103/PhysRevB.74.045104},
+	file = {/Users/loos/Zotero/storage/E7JYZIM2/Friedrich_2006.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = jul,
+	number = {4},
+	pages = {045104},
+	title = {Elimination of the Linearization Error in {{{\emph{GW}}}} Calculations Based on the Linearized Augmented-Plane-Wave Method},
+	volume = {74},
+	year = {2006},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.74.045104}}
 
 @article{Hernandez_1977,
-	Author = {Hern{\'a}ndez, A. J. and Langhoff, P. W.},
-	Date-Added = {2018-03-03 16:36:07 +0000},
-	Date-Modified = {2018-03-03 16:36:07 +0000},
-	File = {/Users/loos/Zotero/storage/XEF84BE7/Hernandez_1977.pdf},
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-	Pages = {421--426},
-	Title = {On {{Rayleigh}}-{{Schr{\"o}dinger}} and Green's-Function Calculations of Ionization Potentials and Electron Affinities},
-	Volume = {49},
-	Year = {1977}}
+	author = {Hern{\'a}ndez, A. J. and Langhoff, P. W.},
+	date-added = {2018-03-03 16:36:07 +0000},
+	date-modified = {2018-03-03 16:36:07 +0000},
+	file = {/Users/loos/Zotero/storage/XEF84BE7/Hernandez_1977.pdf},
+	journal = {Chem. Phys. Lett.},
+	number = {3},
+	pages = {421--426},
+	title = {On {{Rayleigh}}-{{Schr{\"o}dinger}} and Green's-Function Calculations of Ionization Potentials and Electron Affinities},
+	volume = {49},
+	year = {1977}}
 
 @article{Schone_1998a,
-	Author = {Sch{\"o}ne, Wolf-Dieter and Eguiluz, Adolfo G.},
-	Date-Added = {2018-03-03 16:36:07 +0000},
-	Date-Modified = {2018-03-03 16:36:07 +0000},
-	File = {/Users/loos/Zotero/storage/J4XS8Z9Q/Schone_1998.pdf},
-	Journal = {Phys. Rev. Lett.},
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-	Pages = {1662},
-	Title = {Self-Consistent Calculations of Quasiparticle States in Metals and Semiconductors},
-	Volume = {81},
-	Year = {1998}}
+	author = {Sch{\"o}ne, Wolf-Dieter and Eguiluz, Adolfo G.},
+	date-added = {2018-03-03 16:36:07 +0000},
+	date-modified = {2018-03-03 16:36:07 +0000},
+	file = {/Users/loos/Zotero/storage/J4XS8Z9Q/Schone_1998.pdf},
+	journal = {Phys. Rev. Lett.},
+	number = {8},
+	pages = {1662},
+	title = {Self-Consistent Calculations of Quasiparticle States in Metals and Semiconductors},
+	volume = {81},
+	year = {1998}}
 
 @article{Pulay_1980,
-	Author = {Pulay, P{\'e}ter},
-	Date-Added = {2018-02-25 19:37:56 +0000},
-	Date-Modified = {2018-02-25 19:37:56 +0000},
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-	Pages = {393--398},
-	Title = {Convergence Acceleration of Iterative Sequences. the Case of Scf Iteration},
-	Volume = {73},
-	Year = {1980},
+	author = {Pulay, P{\'e}ter},
+	date-added = {2018-02-25 19:37:56 +0000},
+	date-modified = {2018-02-25 19:37:56 +0000},
+	doi = {10.1016/0009-2614(80)80396-4},
+	issn = {00092614},
+	journal = {Chem. Phys. Lett.},
+	language = {en},
+	month = jul,
+	number = {2},
+	pages = {393--398},
+	title = {Convergence Acceleration of Iterative Sequences. the Case of Scf Iteration},
+	volume = {73},
+	year = {1980},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1016/0009-2614(80)80396-4}}
 
 @article{Pulay_1982,
-	Author = {Pulay, P.},
-	Date-Added = {2018-02-25 19:37:56 +0000},
-	Date-Modified = {2018-02-25 19:37:56 +0000},
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-	Journal = {J. Comput. Chem.},
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-	Number = {4},
-	Pages = {556--560},
-	Title = {{{ImprovedSCF}} Convergence Acceleration},
-	Volume = {3},
-	Year = {1982},
+	author = {Pulay, P.},
+	date-added = {2018-02-25 19:37:56 +0000},
+	date-modified = {2018-02-25 19:37:56 +0000},
+	doi = {10.1002/jcc.540030413},
+	issn = {0192-8651, 1096-987X},
+	journal = {J. Comput. Chem.},
+	language = {en},
+	number = {4},
+	pages = {556--560},
+	title = {{{ImprovedSCF}} Convergence Acceleration},
+	volume = {3},
+	year = {1982},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1002/jcc.540030413}}
 
 @article{Berger_2014a,
-	Author = {Berger, J A and Romaniello, Pina and Tandetzky, Falk and Mendoza, Bernardo S and Brouder, Christian and Reining, Lucia},
-	Date-Added = {2018-02-25 15:53:21 +0000},
-	Date-Modified = {2018-02-25 15:53:21 +0000},
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-	Journal = {New J. Phys.},
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-	Pages = {113025},
-	Title = {Solution to the Many-Body Problem in One Point},
-	Volume = {16},
-	Year = {2014},
+	author = {Berger, J A and Romaniello, Pina and Tandetzky, Falk and Mendoza, Bernardo S and Brouder, Christian and Reining, Lucia},
+	date-added = {2018-02-25 15:53:21 +0000},
+	date-modified = {2018-02-25 15:53:21 +0000},
+	doi = {10.1088/1367-2630/16/11/113025},
+	issn = {1367-2630},
+	journal = {New J. Phys.},
+	month = nov,
+	number = {11},
+	pages = {113025},
+	title = {Solution to the Many-Body Problem in One Point},
+	volume = {16},
+	year = {2014},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1088/1367-2630/16/11/113025}}
 
 @incollection{Hedin_1970,
-	Author = {Hedin, Lars and Lundqvist, Stig},
-	Booktitle = {Solid State Physics},
-	Date-Added = {2018-02-24 19:55:02 +0000},
-	Date-Modified = {2018-02-24 19:57:12 +0000},
-	Doi = {10.1016/S0081-1947(08)60615-3},
-	Isbn = {978-0-12-607723-0},
-	Language = {en},
-	Pages = {1--181},
-	Publisher = {Elsevier},
-	Title = {Effects of Electron-Electron and Electron-Phonon Interactions on the One-Electron States of Solids},
-	Volume = {23},
-	Year = {1970},
+	author = {Hedin, Lars and Lundqvist, Stig},
+	booktitle = {Solid State Physics},
+	date-added = {2018-02-24 19:55:02 +0000},
+	date-modified = {2018-02-24 19:57:12 +0000},
+	doi = {10.1016/S0081-1947(08)60615-3},
+	isbn = {978-0-12-607723-0},
+	language = {en},
+	pages = {1--181},
+	publisher = {Elsevier},
+	title = {Effects of Electron-Electron and Electron-Phonon Interactions on the One-Electron States of Solids},
+	volume = {23},
+	year = {1970},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1016/S0081-1947(08)60615-3}}
 
 @article{Hybertsen_1985a,
-	Author = {Hybertsen, Mark S. and Louie, Steven G.},
-	Date-Added = {2018-02-24 19:55:02 +0000},
-	Date-Modified = {2018-02-24 19:55:02 +0000},
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-	Issn = {0031-9007},
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-	Language = {en},
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-	Title = {First-{{Principles Theory}} of {{Quasiparticles}}: {{Calculation}} of {{Band Gaps}} in {{Semiconductors}} and {{Insulators}}},
-	Volume = {55},
-	Year = {1985},
+	author = {Hybertsen, Mark S. and Louie, Steven G.},
+	date-added = {2018-02-24 19:55:02 +0000},
+	date-modified = {2018-02-24 19:55:02 +0000},
+	doi = {10.1103/PhysRevLett.55.1418},
+	issn = {0031-9007},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = sep,
+	number = {13},
+	pages = {1418--1421},
+	shorttitle = {First-{{Principles Theory}} of {{Quasiparticles}}},
+	title = {First-{{Principles Theory}} of {{Quasiparticles}}: {{Calculation}} of {{Band Gaps}} in {{Semiconductors}} and {{Insulators}}},
+	volume = {55},
+	year = {1985},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.55.1418}}
 
 @article{Klein_1961,
-	Author = {Klein, Abraham},
-	Date-Added = {2018-02-24 19:51:02 +0000},
-	Date-Modified = {2018-02-24 19:51:02 +0000},
-	Doi = {10.1103/PhysRev.121.950},
-	Issn = {0031-899X},
-	Journal = {Phys. Rev.},
-	Language = {en},
-	Month = feb,
-	Number = {4},
-	Pages = {950--956},
-	Title = {Perturbation {{Theory}} for an {{Infinite Medium}} of {{Fermions}}. {{II}}},
-	Volume = {121},
-	Year = {1961},
+	author = {Klein, Abraham},
+	date-added = {2018-02-24 19:51:02 +0000},
+	date-modified = {2018-02-24 19:51:02 +0000},
+	doi = {10.1103/PhysRev.121.950},
+	issn = {0031-899X},
+	journal = {Phys. Rev.},
+	language = {en},
+	month = feb,
+	number = {4},
+	pages = {950--956},
+	title = {Perturbation {{Theory}} for an {{Infinite Medium}} of {{Fermions}}. {{II}}},
+	volume = {121},
+	year = {1961},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRev.121.950}}
 
 @article{Schone_1998,
-	Author = {Sch{\"o}ne, Wolf-Dieter and Eguiluz, Adolfo G.},
-	Date-Added = {2018-02-24 19:51:02 +0000},
-	Date-Modified = {2018-02-24 19:51:02 +0000},
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-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = aug,
-	Number = {8},
-	Pages = {1662--1665},
-	Title = {Self-{{Consistent Calculations}} of {{Quasiparticle States}} in {{Metals}} and {{Semiconductors}}},
-	Volume = {81},
-	Year = {1998},
+	author = {Sch{\"o}ne, Wolf-Dieter and Eguiluz, Adolfo G.},
+	date-added = {2018-02-24 19:51:02 +0000},
+	date-modified = {2018-02-24 19:51:02 +0000},
+	doi = {10.1103/PhysRevLett.81.1662},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = aug,
+	number = {8},
+	pages = {1662--1665},
+	title = {Self-{{Consistent Calculations}} of {{Quasiparticle States}} in {{Metals}} and {{Semiconductors}}},
+	volume = {81},
+	year = {1998},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.81.1662}}
 
 @article{Galitskii_1958,
-	Author = {V. Galitskii and A. Migdal},
-	Date-Added = {2018-02-24 19:47:40 +0000},
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-	Journal = {Sov. Phys. JETP},
-	Pages = {96},
-	Volume = {7},
-	Year = {1958}}
+	author = {V. Galitskii and A. Migdal},
+	date-added = {2018-02-24 19:47:40 +0000},
+	date-modified = {2018-02-24 19:48:36 +0000},
+	journal = {Sov. Phys. JETP},
+	pages = {96},
+	volume = {7},
+	year = {1958}}
 
 @article{Seidl_2007,
-	Author = {Seidl, Michael},
-	Date-Added = {2018-02-24 13:48:36 +0000},
-	Date-Modified = {2018-04-14 07:29:55 +0000},
-	Doi = {10.1103/PhysRevA.75.062506},
-	Issn = {1050-2947, 1094-1622},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = jun,
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-	Pages = {062506},
-	Shorttitle = {Adiabatic Connection in Density-Functional Theory},
-	Title = {Adiabatic Connection in Density-Functional Theory: {{Two}} Electrons on the Surface of a Sphere},
-	Volume = {75},
-	Year = {2007},
+	author = {Seidl, Michael},
+	date-added = {2018-02-24 13:48:36 +0000},
+	date-modified = {2018-04-14 07:29:55 +0000},
+	doi = {10.1103/PhysRevA.75.062506},
+	issn = {1050-2947, 1094-1622},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = jun,
+	number = {6},
+	pages = {062506},
+	shorttitle = {Adiabatic Connection in Density-Functional Theory},
+	title = {Adiabatic Connection in Density-Functional Theory: {{Two}} Electrons on the Surface of a Sphere},
+	volume = {75},
+	year = {2007},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevA.75.062506}}
 
 @article{Onida_2002,
-	Author = {G. Onida and L. Reining and A. Rubio and},
-	Date-Added = {2018-02-24 13:00:32 +0000},
-	Date-Modified = {2020-02-05 21:05:04 +0100},
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-	Journal = {Rev. Mod. Phys.},
-	Pages = {601--659},
-	Title = {Electronic Excitations: Density-Functional Versus Many-Body Green's Function Approaches},
-	Volume = {74},
-	Year = {2002},
+	author = {G. Onida and L. Reining and A. Rubio and},
+	date-added = {2018-02-24 13:00:32 +0000},
+	date-modified = {2020-02-05 21:05:04 +0100},
+	doi = {10.1103/RevModPhys.74.601},
+	journal = {Rev. Mod. Phys.},
+	pages = {601--659},
+	title = {Electronic Excitations: Density-Functional Versus Many-Body Green's Function Approaches},
+	volume = {74},
+	year = {2002},
 	Bdsk-Url-1 = {https://doi.org/10.1103/RevModPhys.74.601}}
 
 @article{Aryasetiawan_1998,
-	Author = {F. Aryasetiawan and O. Gunnarsson},
-	Date-Added = {2018-02-24 12:59:01 +0000},
-	Date-Modified = {2020-02-05 21:03:19 +0100},
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-	Journal = {Rep. Prog. Phys.},
-	Pages = {237--312},
-	Title = {The GW Method},
-	Volume = {61},
-	Year = {1998},
+	author = {F. Aryasetiawan and O. Gunnarsson},
+	date-added = {2018-02-24 12:59:01 +0000},
+	date-modified = {2020-02-05 21:03:19 +0100},
+	doi = {10.1088/0034-4885/61/3/002},
+	journal = {Rep. Prog. Phys.},
+	pages = {237--312},
+	title = {The GW Method},
+	volume = {61},
+	year = {1998},
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 @article{Ambrosek_2010,
-	Author = {Ambrosek, David and Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier and Daniel, Chantal},
-	Date-Added = {2018-02-24 12:51:10 +0000},
-	Date-Modified = {2018-02-24 12:51:10 +0000},
-	Doi = {10.1016/j.jinorgbio.2010.04.002},
-	File = {/Users/loos/Zotero/storage/WA85FMNN/22.pdf},
-	Issn = {01620134},
-	Journal = {Journal of Inorganic Biochemistry},
-	Language = {en},
-	Month = sep,
-	Number = {9},
-	Pages = {893--901},
-	Title = {A Theoretical Study of {{Ru}}({{II}}) Polypyridyl {{DNA intercalatorsStructure}} and Electronic Absorption Spectroscopy of [{{Ru}}(Phen)2(Dppz)]2+ and [{{Ru}}(Tap)2(Dppz)]2+ Complexes Intercalated in Guanine\textendash{}cytosine Base Pairs},
-	Volume = {104},
-	Year = {2010},
+	author = {Ambrosek, David and Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier and Daniel, Chantal},
+	date-added = {2018-02-24 12:51:10 +0000},
+	date-modified = {2018-02-24 12:51:10 +0000},
+	doi = {10.1016/j.jinorgbio.2010.04.002},
+	file = {/Users/loos/Zotero/storage/WA85FMNN/22.pdf},
+	issn = {01620134},
+	journal = {Journal of Inorganic Biochemistry},
+	language = {en},
+	month = sep,
+	number = {9},
+	pages = {893--901},
+	title = {A Theoretical Study of {{Ru}}({{II}}) Polypyridyl {{DNA intercalatorsStructure}} and Electronic Absorption Spectroscopy of [{{Ru}}(Phen)2(Dppz)]2+ and [{{Ru}}(Tap)2(Dppz)]2+ Complexes Intercalated in Guanine\textendash{}cytosine Base Pairs},
+	volume = {104},
+	year = {2010},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1016/j.jinorgbio.2010.04.002}}
 
 @article{Barca_2016,
-	Author = {Barca, Giuseppe M. J. and Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
-	Date-Added = {2018-02-24 12:51:10 +0000},
-	Date-Modified = {2018-02-24 12:51:10 +0000},
-	Doi = {10.1021/acs.jctc.6b00130},
-	File = {/Users/loos/Zotero/storage/JS793AVF/49.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {Journal of Chemical Theory and Computation},
-	Language = {en},
-	Month = apr,
-	Number = {4},
-	Pages = {1735--1740},
-	Title = {Many-{{Electron Integrals}} over {{Gaussian Basis Functions}}. {{I}}. {{Recurrence Relations}} for {{Three}}-{{Electron Integrals}}},
-	Volume = {12},
-	Year = {2016},
+	author = {Barca, Giuseppe M. J. and Loos, Pierre-Fran{\c c}ois and Gill, Peter M. W.},
+	date-added = {2018-02-24 12:51:10 +0000},
+	date-modified = {2018-02-24 12:51:10 +0000},
+	doi = {10.1021/acs.jctc.6b00130},
+	file = {/Users/loos/Zotero/storage/JS793AVF/49.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {Journal of Chemical Theory and Computation},
+	language = {en},
+	month = apr,
+	number = {4},
+	pages = {1735--1740},
+	title = {Many-{{Electron Integrals}} over {{Gaussian Basis Functions}}. {{I}}. {{Recurrence Relations}} for {{Three}}-{{Electron Integrals}}},
+	volume = {12},
+	year = {2016},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jctc.6b00130}}
 
 @article{Barca_2017,
-	Author = {Barca, Giuseppe MJ and Loos, Pierre-Fran{\c c}ois},
-	Date-Added = {2018-02-24 12:51:10 +0000},
-	Date-Modified = {2018-02-24 12:51:10 +0000},
-	File = {/Users/loos/Zotero/storage/DCFUMHWZ/56.pdf},
-	Journal = {The Journal of chemical physics},
-	Number = {2},
-	Pages = {024103},
-	Shorttitle = {Three-and Four-Electron Integrals Involving {{Gaussian}} Geminals},
-	Title = {Three-and Four-Electron Integrals Involving {{Gaussian}} Geminals: {{Fundamental}} Integrals, Upper Bounds, and Recurrence Relations},
-	Volume = {147},
-	Year = {2017}}
+	author = {Barca, Giuseppe MJ and Loos, Pierre-Fran{\c c}ois},
+	date-added = {2018-02-24 12:51:10 +0000},
+	date-modified = {2018-02-24 12:51:10 +0000},
+	file = {/Users/loos/Zotero/storage/DCFUMHWZ/56.pdf},
+	journal = {The Journal of chemical physics},
+	number = {2},
+	pages = {024103},
+	shorttitle = {Three-and Four-Electron Integrals Involving {{Gaussian}} Geminals},
+	title = {Three-and Four-Electron Integrals Involving {{Gaussian}} Geminals: {{Fundamental}} Integrals, Upper Bounds, and Recurrence Relations},
+	volume = {147},
+	year = {2017}}
 
 @incollection{Barca_2018,
-	Author = {Barca, Giuseppe M.J. and Loos, Pierre-Fran{\c c}ois},
-	Booktitle = {Advances in {{Quantum Chemistry}}},
-	Date-Added = {2018-02-24 12:51:10 +0000},
-	Date-Modified = {2018-02-24 12:51:10 +0000},
-	Doi = {10.1016/bs.aiq.2017.03.004},
-	File = {/Users/loos/Zotero/storage/JQKXB9RU/58.pdf},
-	Isbn = {978-0-12-813002-5},
-	Language = {en},
-	Pages = {147--165},
-	Publisher = {{Elsevier}},
-	Title = {Recurrence {{Relations}} for {{Four}}-{{Electron Integrals Over Gaussian Basis Functions}}},
-	Volume = {76},
-	Year = {2018},
+	author = {Barca, Giuseppe M.J. and Loos, Pierre-Fran{\c c}ois},
+	booktitle = {Advances in {{Quantum Chemistry}}},
+	date-added = {2018-02-24 12:51:10 +0000},
+	date-modified = {2018-02-24 12:51:10 +0000},
+	doi = {10.1016/bs.aiq.2017.03.004},
+	file = {/Users/loos/Zotero/storage/JQKXB9RU/58.pdf},
+	isbn = {978-0-12-813002-5},
+	language = {en},
+	pages = {147--165},
+	publisher = {{Elsevier}},
+	title = {Recurrence {{Relations}} for {{Four}}-{{Electron Integrals Over Gaussian Basis Functions}}},
+	volume = {76},
+	year = {2018},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1016/bs.aiq.2017.03.004}}
 
 @article{Dumont_2008,
-	Author = {Dumont, {\'E}lise and Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier},
-	Date-Added = {2018-02-24 12:51:10 +0000},
-	Date-Modified = {2018-02-24 12:51:10 +0000},
-	Doi = {10.1016/j.cplett.2008.05.010},
-	File = {/Users/loos/Zotero/storage/5Q5WP253/12.pdf},
-	Issn = {00092614},
-	Journal = {Chem. Phys. Lett.},
-	Language = {en},
-	Month = jun,
-	Number = {4-6},
-	Pages = {276--280},
-	Title = {Effect of Ring Strain on Disulfide Electron Attachment},
-	Volume = {458},
-	Year = {2008},
+	author = {Dumont, {\'E}lise and Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier},
+	date-added = {2018-02-24 12:51:10 +0000},
+	date-modified = {2018-02-24 12:51:10 +0000},
+	doi = {10.1016/j.cplett.2008.05.010},
+	file = {/Users/loos/Zotero/storage/5Q5WP253/12.pdf},
+	issn = {00092614},
+	journal = {Chem. Phys. Lett.},
+	language = {en},
+	month = jun,
+	number = {4-6},
+	pages = {276--280},
+	title = {Effect of Ring Strain on Disulfide Electron Attachment},
+	volume = {458},
+	year = {2008},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1016/j.cplett.2008.05.010}}
 
 @article{Dumont_2008a,
-	Author = {Dumont, {\'E}lise and Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier},
-	Date-Added = {2018-02-24 12:51:10 +0000},
-	Date-Modified = {2018-02-24 12:51:10 +0000},
-	Doi = {10.1021/jp806465e},
-	File = {/Users/loos/Zotero/storage/5FHSI4FF/14.pdf},
-	Issn = {1520-6106, 1520-5207},
-	Journal = {The Journal of Physical Chemistry B},
-	Language = {en},
-	Month = oct,
-	Number = {43},
-	Pages = {13661--13669},
-	Title = {Factors {{Governing Electron Capture}} by {{Small Disulfide Loops}} in {{Two}}-{{Cysteine Peptides}}},
-	Volume = {112},
-	Year = {2008},
+	author = {Dumont, {\'E}lise and Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier},
+	date-added = {2018-02-24 12:51:10 +0000},
+	date-modified = {2018-02-24 12:51:10 +0000},
+	doi = {10.1021/jp806465e},
+	file = {/Users/loos/Zotero/storage/5FHSI4FF/14.pdf},
+	issn = {1520-6106, 1520-5207},
+	journal = {The Journal of Physical Chemistry B},
+	language = {en},
+	month = oct,
+	number = {43},
+	pages = {13661--13669},
+	title = {Factors {{Governing Electron Capture}} by {{Small Disulfide Loops}} in {{Two}}-{{Cysteine Peptides}}},
+	volume = {112},
+	year = {2008},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1021/jp806465e}}
 
 @article{Gill_2014,
-	Author = {Gill, Peter M. W. and Loos, Pierre-Fran{\c c}ois and Agboola, Davids},
-	Date-Added = {2018-02-24 12:51:10 +0000},
-	Date-Modified = {2018-02-24 12:51:10 +0000},
-	Doi = {10.1063/1.4903984},
-	File = {/Users/loos/Zotero/storage/YM5Q8ST9/43.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = dec,
-	Number = {24},
-	Pages = {244102},
-	Title = {Basis Functions for Electronic Structure Calculations on Spheres},
-	Volume = {141},
-	Year = {2014},
+	author = {Gill, Peter M. W. and Loos, Pierre-Fran{\c c}ois and Agboola, Davids},
+	date-added = {2018-02-24 12:51:10 +0000},
+	date-modified = {2018-02-24 12:51:10 +0000},
+	doi = {10.1063/1.4903984},
+	file = {/Users/loos/Zotero/storage/YM5Q8ST9/43.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = dec,
+	number = {24},
+	pages = {244102},
+	title = {Basis Functions for Electronic Structure Calculations on Spheres},
+	volume = {141},
+	year = {2014},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4903984}}
 
 @article{Loos_2015,
-	Author = {Loos, Pierre-Fran{\c c}ois and Ball, Caleb J. and Gill, Peter M. W.},
-	Date-Added = {2018-02-24 12:51:10 +0000},
-	Date-Modified = {2018-02-24 12:51:10 +0000},
-	Doi = {10.1039/C4CP03571B},
-	File = {/Users/loos/Zotero/storage/4JXMCN8L/44.pdf},
-	Issn = {1463-9076, 1463-9084},
-	Journal = {Physical Chemistry Chemical Physics},
-	Language = {en},
-	Number = {5},
-	Pages = {3196--3206},
-	Title = {Chemistry in One Dimension},
-	Volume = {17},
-	Year = {2015},
+	author = {Loos, Pierre-Fran{\c c}ois and Ball, Caleb J. and Gill, Peter M. W.},
+	date-added = {2018-02-24 12:51:10 +0000},
+	date-modified = {2018-02-24 12:51:10 +0000},
+	doi = {10.1039/C4CP03571B},
+	file = {/Users/loos/Zotero/storage/4JXMCN8L/44.pdf},
+	issn = {1463-9076, 1463-9084},
+	journal = {Physical Chemistry Chemical Physics},
+	language = {en},
+	number = {5},
+	pages = {3196--3206},
+	title = {Chemistry in One Dimension},
+	volume = {17},
+	year = {2015},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1039/C4CP03571B}}
 
 @article{Loos_2015a,
-	Author = {Loos, Pierre-Fran{\c c}ois and Bloomfield, Nathaniel J. and Gill, Peter M. W.},
-	Date-Added = {2018-02-24 12:51:10 +0000},
-	Date-Modified = {2018-02-24 12:51:10 +0000},
-	Doi = {10.1063/1.4935374},
-	File = {/Users/loos/Zotero/storage/HEH82IUH/47.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = nov,
-	Number = {18},
-	Pages = {181101},
-	Shorttitle = {Communication},
-	Title = {Communication: {{Three}}-Electron Coalescence Points in Two and Three Dimensions},
-	Volume = {143},
-	Year = {2015},
+	author = {Loos, Pierre-Fran{\c c}ois and Bloomfield, Nathaniel J. and Gill, Peter M. W.},
+	date-added = {2018-02-24 12:51:10 +0000},
+	date-modified = {2018-02-24 12:51:10 +0000},
+	doi = {10.1063/1.4935374},
+	file = {/Users/loos/Zotero/storage/HEH82IUH/47.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = nov,
+	number = {18},
+	pages = {181101},
+	shorttitle = {Communication},
+	title = {Communication: {{Three}}-Electron Coalescence Points in Two and Three Dimensions},
+	volume = {143},
+	year = {2015},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4935374}}
 
 @article{Preat_2007,
-	Author = {Preat, Julien and Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier and Jacquemin, Denis and Perp{\`e}te, Eric A.},
-	Date-Added = {2018-02-24 12:51:10 +0000},
-	Date-Modified = {2018-02-24 12:51:10 +0000},
-	Doi = {10.1016/j.theochem.2006.12.047},
-	File = {/Users/loos/Zotero/storage/4BZSHB49/7.pdf},
-	Issn = {01661280},
-	Journal = {Journal of Molecular Structure: THEOCHEM},
-	Language = {en},
-	Month = apr,
-	Number = {1-3},
-	Pages = {85--91},
-	Shorttitle = {A {{TD}}-{{DFT}} Investigation of {{UV}} Spectra of Pyrano{\"\i}dic Dyes},
-	Title = {A {{TD}}-{{DFT}} Investigation of {{UV}} Spectra of Pyrano{\"\i}dic Dyes: {{A NCM}} vs {{PCM}} Comparison},
-	Volume = {808},
-	Year = {2007},
+	author = {Preat, Julien and Loos, Pierre-Fran{\c c}ois and Assfeld, Xavier and Jacquemin, Denis and Perp{\`e}te, Eric A.},
+	date-added = {2018-02-24 12:51:10 +0000},
+	date-modified = {2018-02-24 12:51:10 +0000},
+	doi = {10.1016/j.theochem.2006.12.047},
+	file = {/Users/loos/Zotero/storage/4BZSHB49/7.pdf},
+	issn = {01661280},
+	journal = {Journal of Molecular Structure: THEOCHEM},
+	language = {en},
+	month = apr,
+	number = {1-3},
+	pages = {85--91},
+	shorttitle = {A {{TD}}-{{DFT}} Investigation of {{UV}} Spectra of Pyrano{\"\i}dic Dyes},
+	title = {A {{TD}}-{{DFT}} Investigation of {{UV}} Spectra of Pyrano{\"\i}dic Dyes: {{A NCM}} vs {{PCM}} Comparison},
+	volume = {808},
+	year = {2007},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1016/j.theochem.2006.12.047}}
 
 @article{Almbladh_1999,
-	Author = {Almbladh, C.-O. and Barth, U. Von and Leeuwen, R. Van},
-	File = {/Users/loos/Zotero/storage/7TN6GPFJ/Almbladh_1999.pdf},
-	Journal = {Int. J. Mod. Phys. B},
-	Number = {05n06},
-	Pages = {535--541},
-	Title = {Variational Total Energies from {{$\Phi$}}-and {{$\Psi$}}-Derivable Theories},
-	Volume = {13},
-	Year = {1999}}
+	author = {Almbladh, C.-O. and Barth, U. Von and Leeuwen, R. Van},
+	file = {/Users/loos/Zotero/storage/7TN6GPFJ/Almbladh_1999.pdf},
+	journal = {Int. J. Mod. Phys. B},
+	number = {05n06},
+	pages = {535--541},
+	title = {Variational Total Energies from {{$\Phi$}}-and {{$\Psi$}}-Derivable Theories},
+	volume = {13},
+	year = {1999}}
 
 @article{Bartlett_1981,
-	Author = {Bartlett, Rodney J.},
-	File = {/Users/loos/Zotero/storage/3MKNT5H6/Bartlett_1981.pdf},
-	Journal = {Annu. Rev. Phys. Chem.},
-	Number = {1},
-	Pages = {359--401},
-	Title = {Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules},
-	Volume = {32},
-	Year = {1981}}
+	author = {Bartlett, Rodney J.},
+	file = {/Users/loos/Zotero/storage/3MKNT5H6/Bartlett_1981.pdf},
+	journal = {Annu. Rev. Phys. Chem.},
+	number = {1},
+	pages = {359--401},
+	title = {Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules},
+	volume = {32},
+	year = {1981}}
 
 @article{Berger_2010,
-	Author = {Berger, J. A. and Reining, Lucia and Sottile, Francesco},
-	Doi = {10.1103/PhysRevB.82.041103},
-	File = {/Users/loos/Zotero/storage/6FZPM8KJ/Berger_2010.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = jul,
-	Number = {4},
-	Shorttitle = {{\emph{Ab Initio}} Calculations of Electronic Excitations},
-	Title = {{\emph{Ab Initio}} Calculations of Electronic Excitations: {{Collapsing}} Spectral Sums},
-	Volume = {82},
-	Year = {2010},
+	author = {Berger, J. A. and Reining, Lucia and Sottile, Francesco},
+	doi = {10.1103/PhysRevB.82.041103},
+	file = {/Users/loos/Zotero/storage/6FZPM8KJ/Berger_2010.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = jul,
+	number = {4},
+	shorttitle = {{\emph{Ab Initio}} Calculations of Electronic Excitations},
+	title = {{\emph{Ab Initio}} Calculations of Electronic Excitations: {{Collapsing}} Spectral Sums},
+	volume = {82},
+	year = {2010},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.82.041103}}
 
 @article{Berger_2012,
-	Author = {Berger, J. A. and Reining, Lucia and Sottile, Francesco},
-	Doi = {10.1103/PhysRevB.85.085126},
-	File = {/Users/loos/Zotero/storage/LG5MEXAZ/Berger_2012.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = feb,
-	Number = {8},
-	Shorttitle = {Efficient {{G W}} Calculations for {{SnO}} 2 , {{ZnO}}, and Rubrene},
-	Title = {Efficient {{G W}} Calculations for {{SnO}} 2 , {{ZnO}}, and Rubrene: {{The}} Effective-Energy Technique},
-	Volume = {85},
-	Year = {2012},
+	author = {Berger, J. A. and Reining, Lucia and Sottile, Francesco},
+	doi = {10.1103/PhysRevB.85.085126},
+	file = {/Users/loos/Zotero/storage/LG5MEXAZ/Berger_2012.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = feb,
+	number = {8},
+	shorttitle = {Efficient {{G W}} Calculations for {{SnO}} 2 , {{ZnO}}, and Rubrene},
+	title = {Efficient {{G W}} Calculations for {{SnO}} 2 , {{ZnO}}, and Rubrene: {{The}} Effective-Energy Technique},
+	volume = {85},
+	year = {2012},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.85.085126}}
 
 @article{Berger_2014,
-	Author = {Berger, J A and Romaniello, Pina and Tandetzky, Falk and Mendoza, Bernardo S and Brouder, Christian and Reining, Lucia},
-	Doi = {10.1088/1367-2630/16/11/119601},
-	File = {/Users/loos/Zotero/storage/QZKHN82B/Berger_2014.pdf},
-	Issn = {1367-2630},
-	Journal = {New J. Phys.},
-	Month = nov,
-	Number = {11},
-	Pages = {119601},
-	Shorttitle = {Erratum},
-	Title = {Erratum: {{Solution}} to the Many-Body Problem in One Point ( {{{\emph{New J}}}}{\emph{. }}{{{\emph{Phys}}}}{\emph{.}} {\textbf{16}} 113025)},
-	Volume = {16},
-	Year = {2014},
+	author = {Berger, J A and Romaniello, Pina and Tandetzky, Falk and Mendoza, Bernardo S and Brouder, Christian and Reining, Lucia},
+	doi = {10.1088/1367-2630/16/11/119601},
+	file = {/Users/loos/Zotero/storage/QZKHN82B/Berger_2014.pdf},
+	issn = {1367-2630},
+	journal = {New J. Phys.},
+	month = nov,
+	number = {11},
+	pages = {119601},
+	shorttitle = {Erratum},
+	title = {Erratum: {{Solution}} to the Many-Body Problem in One Point ( {{{\emph{New J}}}}{\emph{. }}{{{\emph{Phys}}}}{\emph{.}} {\textbf{16}} 113025)},
+	volume = {16},
+	year = {2014},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1088/1367-2630/16/11/119601}}
 
 @article{Blase_2016,
-	Author = {Blase, Xavier and Boulanger, Paul and Bruneval, Fabien and Fernandez-Serra, Marivi and Duchemin, Ivan},
-	Doi = {10.1063/1.4940139},
-	File = {/Users/loos/Zotero/storage/LWI3LN6F/Blase_2016.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = jan,
-	Number = {3},
-	Pages = {034109},
-	Title = {{{{\emph{GW}}}} and {{Bethe}}-{{Salpeter}} Study of Small Water Clusters},
-	Volume = {144},
-	Year = {2016},
+	author = {Blase, Xavier and Boulanger, Paul and Bruneval, Fabien and Fernandez-Serra, Marivi and Duchemin, Ivan},
+	doi = {10.1063/1.4940139},
+	file = {/Users/loos/Zotero/storage/LWI3LN6F/Blase_2016.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = jan,
+	number = {3},
+	pages = {034109},
+	title = {{{{\emph{GW}}}} and {{Bethe}}-{{Salpeter}} Study of Small Water Clusters},
+	volume = {144},
+	year = {2016},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4940139}}
 
 @article{Boulanger_2014,
-	Author = {Boulanger, Paul and Jacquemin, Denis and Duchemin, Ivan and Blase, Xavier},
-	Doi = {10.1021/ct401101u},
-	File = {/Users/loos/Zotero/storage/KTW3SS9F/Boulanger_2014.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = mar,
-	Number = {3},
-	Pages = {1212--1218},
-	Title = {Fast and {{Accurate Electronic Excitations}} in {{Cyanines}} with the {{Many}}-{{Body Bethe}}\textendash{}{{Salpeter Approach}}},
-	Volume = {10},
-	Year = {2014},
+	author = {Boulanger, Paul and Jacquemin, Denis and Duchemin, Ivan and Blase, Xavier},
+	doi = {10.1021/ct401101u},
+	file = {/Users/loos/Zotero/storage/KTW3SS9F/Boulanger_2014.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = mar,
+	number = {3},
+	pages = {1212--1218},
+	title = {Fast and {{Accurate Electronic Excitations}} in {{Cyanines}} with the {{Many}}-{{Body Bethe}}\textendash{}{{Salpeter Approach}}},
+	volume = {10},
+	year = {2014},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1021/ct401101u}}
 
 @article{Bruneval_2009,
-	Author = {Bruneval, Fabien},
-	Doi = {10.1103/PhysRevLett.103.176403},
-	File = {/Users/loos/Zotero/storage/6XJIUUFE/Bruneval_2009.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = oct,
-	Number = {17},
-	Title = {G {{W Approximation}} of the {{Many}}-{{Body Problem}} and {{Changes}} in the {{Particle Number}}},
-	Volume = {103},
-	Year = {2009},
+	author = {Bruneval, Fabien},
+	doi = {10.1103/PhysRevLett.103.176403},
+	file = {/Users/loos/Zotero/storage/6XJIUUFE/Bruneval_2009.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = oct,
+	number = {17},
+	title = {G {{W Approximation}} of the {{Many}}-{{Body Problem}} and {{Changes}} in the {{Particle Number}}},
+	volume = {103},
+	year = {2009},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.103.176403}}
 
 @article{Bruneval_2012,
-	Author = {Bruneval, Fabien},
-	Doi = {10.1063/1.4718428},
-	File = {/Users/loos/Zotero/storage/MVP3WBIS/Bruneval_2012a.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = may,
-	Number = {19},
-	Pages = {194107},
-	Title = {Ionization Energy of Atoms Obtained from {{{\emph{GW}}}} Self-Energy or from Random Phase Approximation Total Energies},
-	Volume = {136},
-	Year = {2012},
+	author = {Bruneval, Fabien},
+	doi = {10.1063/1.4718428},
+	file = {/Users/loos/Zotero/storage/MVP3WBIS/Bruneval_2012a.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = may,
+	number = {19},
+	pages = {194107},
+	title = {Ionization Energy of Atoms Obtained from {{{\emph{GW}}}} Self-Energy or from Random Phase Approximation Total Energies},
+	volume = {136},
+	year = {2012},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4718428}}
 
 @article{Bruneval_2013,
-	Author = {Bruneval, Fabien and Marques, Miguel A. L.},
-	Doi = {10.1021/ct300835h},
-	File = {/Users/loos/Zotero/storage/6ERH93TH/Bruneval_2012b.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = jan,
-	Number = {1},
-	Pages = {324--329},
-	Title = {Benchmarking the {{Starting Points}} of the {{{\emph{GW}}}} {{Approximation}} for {{Molecules}}},
-	Volume = {9},
-	Year = {2013},
+	author = {Bruneval, Fabien and Marques, Miguel A. L.},
+	doi = {10.1021/ct300835h},
+	file = {/Users/loos/Zotero/storage/6ERH93TH/Bruneval_2012b.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = jan,
+	number = {1},
+	pages = {324--329},
+	title = {Benchmarking the {{Starting Points}} of the {{{\emph{GW}}}} {{Approximation}} for {{Molecules}}},
+	volume = {9},
+	year = {2013},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1021/ct300835h}}
 
 @article{Bruneval_2016a,
-	Author = {Bruneval, Fabien},
-	Doi = {10.1063/1.4972003},
-	File = {/Users/loos/Zotero/storage/2TRSI2LP/Bruneval_2016b.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = dec,
-	Number = {23},
-	Pages = {234110},
-	Title = {Optimized Virtual Orbital Subspace for Faster {{GW}} Calculations in Localized Basis},
-	Volume = {145},
-	Year = {2016},
+	author = {Bruneval, Fabien},
+	doi = {10.1063/1.4972003},
+	file = {/Users/loos/Zotero/storage/2TRSI2LP/Bruneval_2016b.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = dec,
+	number = {23},
+	pages = {234110},
+	title = {Optimized Virtual Orbital Subspace for Faster {{GW}} Calculations in Localized Basis},
+	volume = {145},
+	year = {2016},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4972003}}
 
 @article{Caruso_2012,
-	Author = {Caruso, F. and Rinke, P. and Ren, X. and Scheffler, M. and Rubio, A.},
-	Date-Modified = {2018-04-14 07:23:04 +0000},
-	Doi = {10.1103/PhysRevB.86.081102},
-	File = {/Users/loos/Zotero/storage/2ZGZT4DZ/Caruso_2012.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = aug,
-	Number = {8},
-	Pages = {081102(R)},
-	Shorttitle = {Unified Description of Ground and Excited States of Finite Systems},
-	Title = {Unified Description of Ground and Excited States of Finite Systems: {{The}} Self-Consistent {{G W}} Approach},
-	Volume = {86},
-	Year = {2012},
+	author = {Caruso, F. and Rinke, P. and Ren, X. and Scheffler, M. and Rubio, A.},
+	date-modified = {2018-04-14 07:23:04 +0000},
+	doi = {10.1103/PhysRevB.86.081102},
+	file = {/Users/loos/Zotero/storage/2ZGZT4DZ/Caruso_2012.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = aug,
+	number = {8},
+	pages = {081102(R)},
+	shorttitle = {Unified Description of Ground and Excited States of Finite Systems},
+	title = {Unified Description of Ground and Excited States of Finite Systems: {{The}} Self-Consistent {{G W}} Approach},
+	volume = {86},
+	year = {2012},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.86.081102}}
 
 @article{Caruso_2013a,
-	Author = {Caruso, Fabio and Rinke, Patrick and Ren, Xinguo and Rubio, Angel and Scheffler, Matthias},
-	Date-Modified = {2018-04-14 07:22:35 +0000},
-	Doi = {10.1103/PhysRevB.88.075105},
-	File = {/Users/loos/Zotero/storage/SACFAD2T/Caruso_2013.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = aug,
-	Number = {7},
-	Pages = {075105},
-	Shorttitle = {Self-Consistent {{G W}}},
-	Title = {Self-Consistent {{G W}} : {{All}}-Electron Implementation with Localized Basis Functions},
-	Volume = {88},
-	Year = {2013},
+	author = {Caruso, Fabio and Rinke, Patrick and Ren, Xinguo and Rubio, Angel and Scheffler, Matthias},
+	date-modified = {2018-04-14 07:22:35 +0000},
+	doi = {10.1103/PhysRevB.88.075105},
+	file = {/Users/loos/Zotero/storage/SACFAD2T/Caruso_2013.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = aug,
+	number = {7},
+	pages = {075105},
+	shorttitle = {Self-Consistent {{G W}}},
+	title = {Self-Consistent {{G W}} : {{All}}-Electron Implementation with Localized Basis Functions},
+	volume = {88},
+	year = {2013},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.88.075105}}
 
 @phdthesis{Caruso_2013b,
-	Author = {Caruso, Fabio},
-	File = {/Users/loos/Zotero/storage/I5Q6ZQCS/Caruso_PhD.pdf},
-	School = {Freie Universit{\"a}t Berlin},
-	Title = {Self-Consistent {{GW}} Approach for the Unified Description of Ground and Excited States of Finite Systems},
-	Type = {{{PhD Thesis}}},
-	Year = {2013}}
+	author = {Caruso, Fabio},
+	file = {/Users/loos/Zotero/storage/I5Q6ZQCS/Caruso_PhD.pdf},
+	school = {Freie Universit{\"a}t Berlin},
+	title = {Self-Consistent {{GW}} Approach for the Unified Description of Ground and Excited States of Finite Systems},
+	type = {{{PhD Thesis}}},
+	year = {2013}}
 
 @incollection{Corzo_2017,
-	Author = {Corzo, H{\'e}ctor H. and Ortiz, J. Vince},
-	Booktitle = {Advances in Quantum Chemistry},
-	Date-Modified = {2018-02-24 19:24:27 +0000},
-	Doi = {10.1016/bs.aiq.2016.05.001},
-	File = {/Users/loos/Zotero/storage/PT4V59RE/Corzo_2017.pdf},
-	Isbn = {978-0-12-809988-9},
-	Language = {en},
-	Pages = {267--298},
-	Publisher = {Elsevier},
-	Title = {Electron Propagator Theory},
-	Volume = {74},
-	Year = {2017},
+	author = {Corzo, H{\'e}ctor H. and Ortiz, J. Vince},
+	booktitle = {Advances in Quantum Chemistry},
+	date-modified = {2018-02-24 19:24:27 +0000},
+	doi = {10.1016/bs.aiq.2016.05.001},
+	file = {/Users/loos/Zotero/storage/PT4V59RE/Corzo_2017.pdf},
+	isbn = {978-0-12-809988-9},
+	language = {en},
+	pages = {267--298},
+	publisher = {Elsevier},
+	title = {Electron Propagator Theory},
+	volume = {74},
+	year = {2017},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1016/bs.aiq.2016.05.001}}
 
 @article{Dahlen_2004,
-	Author = {Dahlen, Nils Erik and von Barth, Ulf},
-	Date-Modified = {2018-04-14 07:33:15 +0000},
-	Doi = {10.1103/PhysRevB.69.195102},
-	File = {/Users/loos/Zotero/storage/JVFRWQV9/Dahlen_2004a.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = may,
-	Number = {19},
-	Pages = {195102},
-	Title = {Variational Energy Functionals Tested on Atoms},
-	Volume = {69},
-	Year = {2004},
+	author = {Dahlen, Nils Erik and von Barth, Ulf},
+	date-modified = {2018-04-14 07:33:15 +0000},
+	doi = {10.1103/PhysRevB.69.195102},
+	file = {/Users/loos/Zotero/storage/JVFRWQV9/Dahlen_2004a.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = may,
+	number = {19},
+	pages = {195102},
+	title = {Variational Energy Functionals Tested on Atoms},
+	volume = {69},
+	year = {2004},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.69.195102}}
 
 @article{Dahlen_2004a,
-	Author = {Dahlen, Nils Erik and {von Barth}, Ulf},
-	Doi = {10.1063/1.1650307},
-	File = {/Users/loos/Zotero/storage/6IDAFXL5/Dahlen_2004b.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = apr,
-	Number = {15},
-	Pages = {6826--6831},
-	Title = {Variational Second-Order {{M{\o}ller}}\textendash{}{{Plesset}} Theory Based on the {{Luttinger}}\textendash{}{{Ward}} Functional},
-	Volume = {120},
-	Year = {2004},
+	author = {Dahlen, Nils Erik and {von Barth}, Ulf},
+	doi = {10.1063/1.1650307},
+	file = {/Users/loos/Zotero/storage/6IDAFXL5/Dahlen_2004b.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = apr,
+	number = {15},
+	pages = {6826--6831},
+	title = {Variational Second-Order {{M{\o}ller}}\textendash{}{{Plesset}} Theory Based on the {{Luttinger}}\textendash{}{{Ward}} Functional},
+	volume = {120},
+	year = {2004},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.1650307}}
 
 @article{Dahlen_2005a,
-	Author = {Dahlen, Nils Erik and Van Leeuwen, Robert and Von Barth, Ulf},
-	Doi = {10.1002/qua.20306},
-	File = {/Users/loos/Zotero/storage/KCXCEUER/Dahlen_2005a.pdf},
-	Issn = {0020-7608, 1097-461X},
-	Journal = {Int. J. Quantum Chem.},
-	Language = {en},
-	Number = {5},
-	Pages = {512--519},
-	Title = {Variational Energy Functionals of the {{Green}} Function Tested on Molecules},
-	Volume = {101},
-	Year = {2005},
+	author = {Dahlen, Nils Erik and Van Leeuwen, Robert and Von Barth, Ulf},
+	doi = {10.1002/qua.20306},
+	file = {/Users/loos/Zotero/storage/KCXCEUER/Dahlen_2005a.pdf},
+	issn = {0020-7608, 1097-461X},
+	journal = {Int. J. Quantum Chem.},
+	language = {en},
+	number = {5},
+	pages = {512--519},
+	title = {Variational Energy Functionals of the {{Green}} Function Tested on Molecules},
+	volume = {101},
+	year = {2005},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1002/qua.20306}}
 
 @article{Dahlen_2005,
-	Author = {Dahlen, Nils Erik and {van Leeuwen}, Robert},
-	Doi = {10.1063/1.1884965},
-	File = {/Users/loos/Zotero/storage/Z984CS8R/Dahlen_2005b.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = apr,
-	Number = {16},
-	Pages = {164102},
-	Title = {Self-Consistent Solution of the {{Dyson}} Equation for Atoms and Molecules within a Conserving Approximation},
-	Volume = {122},
-	Year = {2005},
+	author = {Dahlen, Nils Erik and {van Leeuwen}, Robert},
+	doi = {10.1063/1.1884965},
+	file = {/Users/loos/Zotero/storage/Z984CS8R/Dahlen_2005b.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = apr,
+	number = {16},
+	pages = {164102},
+	title = {Self-Consistent Solution of the {{Dyson}} Equation for Atoms and Molecules within a Conserving Approximation},
+	volume = {122},
+	year = {2005},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.1884965}}
 
 @article{Danovich_2011,
-	Author = {Danovich, David},
-	Doi = {10.1002/wcms.38},
-	File = {/Users/loos/Zotero/storage/RQLPMH6E/Danovich_2011.pdf},
-	Issn = {17590876},
-	Journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
-	Language = {en},
-	Month = may,
-	Number = {3},
-	Pages = {377--387},
-	Shorttitle = {Green's Function Methods for Calculating Ionization Potentials, Electron Affinities, and Excitation Energies},
-	Title = {Green's Function Methods for Calculating Ionization Potentials, Electron Affinities, and Excitation Energies: {{GF}} Methods for Calculating {{IPs}}, {{EAs}}, and Excitation Energies},
-	Volume = {1},
-	Year = {2011},
+	author = {Danovich, David},
+	doi = {10.1002/wcms.38},
+	file = {/Users/loos/Zotero/storage/RQLPMH6E/Danovich_2011.pdf},
+	issn = {17590876},
+	journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
+	language = {en},
+	month = may,
+	number = {3},
+	pages = {377--387},
+	shorttitle = {Green's Function Methods for Calculating Ionization Potentials, Electron Affinities, and Excitation Energies},
+	title = {Green's Function Methods for Calculating Ionization Potentials, Electron Affinities, and Excitation Energies: {{GF}} Methods for Calculating {{IPs}}, {{EAs}}, and Excitation Energies},
+	volume = {1},
+	year = {2011},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1002/wcms.38}}
 
 @article{Dreuw_2015,
-	Author = {Dreuw, Andreas and Wormit, Michael},
-	Doi = {10.1002/wcms.1206},
-	File = {/Users/loos/Zotero/storage/ZGBF293U/Dreuw_2015.pdf},
-	Issn = {17590876},
-	Journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
-	Language = {en},
-	Month = jan,
-	Number = {1},
-	Pages = {82--95},
-	Title = {The Algebraic Diagrammatic Construction Scheme for the Polarization Propagator for the Calculation of Excited States},
-	Volume = {5},
-	Year = {2015},
+	author = {Dreuw, Andreas and Wormit, Michael},
+	doi = {10.1002/wcms.1206},
+	file = {/Users/loos/Zotero/storage/ZGBF293U/Dreuw_2015.pdf},
+	issn = {17590876},
+	journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
+	language = {en},
+	month = jan,
+	number = {1},
+	pages = {82--95},
+	title = {The Algebraic Diagrammatic Construction Scheme for the Polarization Propagator for the Calculation of Excited States},
+	volume = {5},
+	year = {2015},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1002/wcms.1206}}
 
 @phdthesis{vanFaassen_2005,
-	Author = {{van Faassen}, Meta},
-	File = {/Users/loos/Zotero/storage/PTY6IS9R/Faassen_2015.pdf},
-	School = {University Library Groningen][Host]},
-	Title = {Time-Dependent {{Current}}-Density-Functional {{Theory}} for {{Molecules}}},
-	Type = {{{PhD Thesis}}},
-	Year = {2005}}
+	author = {{van Faassen}, Meta},
+	file = {/Users/loos/Zotero/storage/PTY6IS9R/Faassen_2015.pdf},
+	school = {University Library Groningen][Host]},
+	title = {Time-Dependent {{Current}}-Density-Functional {{Theory}} for {{Molecules}}},
+	type = {{{PhD Thesis}}},
+	year = {2005}}
 
 @article{Faleev_2004,
-	Author = {Faleev, Sergey V. and {van Schilfgaarde}, Mark and Kotani, Takao},
-	Date-Modified = {2018-04-14 07:31:23 +0000},
-	Doi = {10.1103/PhysRevLett.93.126406},
-	File = {/Users/loos/Zotero/storage/YKIDTQ84/Faleev_2004.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = sep,
-	Number = {12},
-	Pages = {126406},
-	Shorttitle = {All-{{Electron Self}}-{{Consistent G W Approximation}}},
-	Title = {All-{{Electron Self}}-{{Consistent G W Approximation}}: {{Application}} to {{Si}}, {{MnO}}, and {{NiO}}},
-	Volume = {93},
-	Year = {2004},
+	author = {Faleev, Sergey V. and {van Schilfgaarde}, Mark and Kotani, Takao},
+	date-modified = {2018-04-14 07:31:23 +0000},
+	doi = {10.1103/PhysRevLett.93.126406},
+	file = {/Users/loos/Zotero/storage/YKIDTQ84/Faleev_2004.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = sep,
+	number = {12},
+	pages = {126406},
+	shorttitle = {All-{{Electron Self}}-{{Consistent G W Approximation}}},
+	title = {All-{{Electron Self}}-{{Consistent G W Approximation}}: {{Application}} to {{Si}}, {{MnO}}, and {{NiO}}},
+	volume = {93},
+	year = {2004},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.93.126406}}
 
 @book{March_1999,
-	Address = {London},
-	Editor = {March, Norman H.},
-	File = {/Users/loos/Zotero/storage/7VMQ86HQ/Farid_1999.pdf},
-	Isbn = {978-1-86094-200-6},
-	Language = {eng},
-	Note = {OCLC: 247716792},
-	Publisher = {{Imperial College Press}},
-	Title = {Electron Correlation in the Solid State},
-	Year = {1999}}
+	address = {London},
+	editor = {March, Norman H.},
+	file = {/Users/loos/Zotero/storage/7VMQ86HQ/Farid_1999.pdf},
+	isbn = {978-1-86094-200-6},
+	language = {eng},
+	note = {OCLC: 247716792},
+	publisher = {{Imperial College Press}},
+	title = {Electron Correlation in the Solid State},
+	year = {1999}}
 
 @article{Guzzo_2011,
-	Author = {Guzzo, Matteo and Lani, Giovanna and Sottile, Francesco and Romaniello, Pina and Gatti, Matteo and Kas, Joshua J. and Rehr, John J. and Silly, Mathieu G. and Sirotti, Fausto and Reining, Lucia},
-	Doi = {10.1103/PhysRevLett.107.166401},
-	File = {/Users/loos/Zotero/storage/CML472NW/Guzzo_2011.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = oct,
-	Number = {16},
-	Shorttitle = {Valence {{Electron Photoemission Spectrum}} of {{Semiconductors}}},
-	Title = {Valence {{Electron Photoemission Spectrum}} of {{Semiconductors}}: {{{\emph{Ab Initio}}}} {{Description}} of {{Multiple Satellites}}},
-	Volume = {107},
-	Year = {2011},
+	author = {Guzzo, Matteo and Lani, Giovanna and Sottile, Francesco and Romaniello, Pina and Gatti, Matteo and Kas, Joshua J. and Rehr, John J. and Silly, Mathieu G. and Sirotti, Fausto and Reining, Lucia},
+	doi = {10.1103/PhysRevLett.107.166401},
+	file = {/Users/loos/Zotero/storage/CML472NW/Guzzo_2011.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = oct,
+	number = {16},
+	shorttitle = {Valence {{Electron Photoemission Spectrum}} of {{Semiconductors}}},
+	title = {Valence {{Electron Photoemission Spectrum}} of {{Semiconductors}}: {{{\emph{Ab Initio}}}} {{Description}} of {{Multiple Satellites}}},
+	volume = {107},
+	year = {2011},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.107.166401}}
 
 @article{vanSchilfgaarde_2006,
-	Author = {{van Schilfgaarde}, M. and Kotani, Takao and Faleev, S.},
-	Date-Modified = {2018-04-14 07:31:33 +0000},
-	Doi = {10.1103/PhysRevLett.96.226402},
-	File = {/Users/loos/Zotero/storage/6S8FDHP8/vanSchilfgaarde_2006.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = jun,
-	Number = {22},
-	Pages = {226402},
-	Title = {Quasiparticle {{Self}}-{{Consistent G W Theory}}},
-	Volume = {96},
-	Year = {2006},
+	author = {{van Schilfgaarde}, M. and Kotani, Takao and Faleev, S.},
+	date-modified = {2018-04-14 07:31:33 +0000},
+	doi = {10.1103/PhysRevLett.96.226402},
+	file = {/Users/loos/Zotero/storage/6S8FDHP8/vanSchilfgaarde_2006.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = jun,
+	number = {22},
+	pages = {226402},
+	title = {Quasiparticle {{Self}}-{{Consistent G W Theory}}},
+	volume = {96},
+	year = {2006},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.96.226402}}
 
 @article{Hattig_2002,
-	Author = {H{\"a}ttig, Christof and Hald, Kasper},
-	Doi = {10.1039/b110847f},
-	File = {/Users/loos/Zotero/storage/C9SZ4GHZ/Hattig_2002.pdf},
-	Issn = {14639076, 14639084},
-	Journal = {Phys. Chem. Chem. Phys.},
-	Month = may,
-	Number = {11},
-	Pages = {2111--2118},
-	Title = {Implementation of {{RI}}-{{CC2}} Triplet Excitation Energies with an Application to Trans-Azobenzene},
-	Volume = {4},
-	Year = {2002},
+	author = {H{\"a}ttig, Christof and Hald, Kasper},
+	doi = {10.1039/b110847f},
+	file = {/Users/loos/Zotero/storage/C9SZ4GHZ/Hattig_2002.pdf},
+	issn = {14639076, 14639084},
+	journal = {Phys. Chem. Chem. Phys.},
+	month = may,
+	number = {11},
+	pages = {2111--2118},
+	title = {Implementation of {{RI}}-{{CC2}} Triplet Excitation Energies with an Application to Trans-Azobenzene},
+	volume = {4},
+	year = {2002},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1039/b110847f}}
 
 @article{Ismail-Beigi_2010,
-	Author = {Ismail-Beigi, Sohrab},
-	Doi = {10.1103/PhysRevB.81.195126},
-	File = {/Users/loos/Zotero/storage/DAFHBKV5/Ismail-Beigi_2010.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = may,
-	Number = {19},
-	Shorttitle = {Correlation Energy Functional within the {{G W}} -{{RPA}}},
-	Title = {Correlation Energy Functional within the {{G W}} -{{RPA}}: {{Exact}} Forms, Approximate Forms, and Challenges},
-	Volume = {81},
-	Year = {2010},
+	author = {Ismail-Beigi, Sohrab},
+	doi = {10.1103/PhysRevB.81.195126},
+	file = {/Users/loos/Zotero/storage/DAFHBKV5/Ismail-Beigi_2010.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = may,
+	number = {19},
+	shorttitle = {Correlation Energy Functional within the {{G W}} -{{RPA}}},
+	title = {Correlation Energy Functional within the {{G W}} -{{RPA}}: {{Exact}} Forms, Approximate Forms, and Challenges},
+	volume = {81},
+	year = {2010},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.81.195126}}
 
 @article{LaflammeJanssen_2015,
-	Author = {Laflamme Janssen, Jonathan and Rousseau, Bruno and C{\^o}t{\'e}, Michel},
-	Doi = {10.1103/PhysRevB.91.125120},
-	File = {/Users/loos/Zotero/storage/IT4XRL8J/Janssen_2015.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = mar,
-	Number = {12},
-	Title = {Efficient Dielectric Matrix Calculations Using the {{Lanczos}} Algorithm for Fast Many-Body {{G}} 0 {{W}} 0 Implementations},
-	Volume = {91},
-	Year = {2015},
+	author = {Laflamme Janssen, Jonathan and Rousseau, Bruno and C{\^o}t{\'e}, Michel},
+	doi = {10.1103/PhysRevB.91.125120},
+	file = {/Users/loos/Zotero/storage/IT4XRL8J/Janssen_2015.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = mar,
+	number = {12},
+	title = {Efficient Dielectric Matrix Calculations Using the {{Lanczos}} Algorithm for Fast Many-Body {{G}} 0 {{W}} 0 Implementations},
+	volume = {91},
+	year = {2015},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.91.125120}}
 
 @article{Kaplan_2015,
-	Author = {Kaplan, F. and Weigend, F. and Evers, F. and {van Setten}, M. J.},
-	Doi = {10.1021/acs.jctc.5b00394},
-	File = {/Users/loos/Zotero/storage/Y8FW5KVR/Kaplan_2015.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = nov,
-	Number = {11},
-	Pages = {5152--5160},
-	Shorttitle = {Off-{{Diagonal Self}}-{{Energy Terms}} and {{Partially Self}}-{{Consistency}} in {{{\emph{GW}}}} {{Calculations}} for {{Single Molecules}}},
-	Title = {Off-{{Diagonal Self}}-{{Energy Terms}} and {{Partially Self}}-{{Consistency}} in {{{\emph{GW}}}} {{Calculations}} for {{Single Molecules}}: {{Efficient Implementation}} and {{Quantitative Effects}} on {{Ionization Potentials}}},
-	Volume = {11},
-	Year = {2015},
+	author = {Kaplan, F. and Weigend, F. and Evers, F. and {van Setten}, M. J.},
+	doi = {10.1021/acs.jctc.5b00394},
+	file = {/Users/loos/Zotero/storage/Y8FW5KVR/Kaplan_2015.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = nov,
+	number = {11},
+	pages = {5152--5160},
+	shorttitle = {Off-{{Diagonal Self}}-{{Energy Terms}} and {{Partially Self}}-{{Consistency}} in {{{\emph{GW}}}} {{Calculations}} for {{Single Molecules}}},
+	title = {Off-{{Diagonal Self}}-{{Energy Terms}} and {{Partially Self}}-{{Consistency}} in {{{\emph{GW}}}} {{Calculations}} for {{Single Molecules}}: {{Efficient Implementation}} and {{Quantitative Effects}} on {{Ionization Potentials}}},
+	volume = {11},
+	year = {2015},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jctc.5b00394}}
 
 @article{Kaplan_2016,
-	Author = {Kaplan, F. and Harding, M. E. and Seiler, C. and Weigend, F. and Evers, F. and {van Setten}, M. J.},
-	Doi = {10.1021/acs.jctc.5b01238},
-	File = {/Users/loos/Zotero/storage/MWYM8YMS/Kaplan_2016.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = jun,
-	Number = {6},
-	Pages = {2528--2541},
-	Title = {Quasi-{{Particle Self}}-{{Consistent}} {{{\emph{GW}}}} for {{Molecules}}},
-	Volume = {12},
-	Year = {2016},
+	author = {Kaplan, F. and Harding, M. E. and Seiler, C. and Weigend, F. and Evers, F. and {van Setten}, M. J.},
+	doi = {10.1021/acs.jctc.5b01238},
+	file = {/Users/loos/Zotero/storage/MWYM8YMS/Kaplan_2016.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = jun,
+	number = {6},
+	pages = {2528--2541},
+	title = {Quasi-{{Particle Self}}-{{Consistent}} {{{\emph{GW}}}} for {{Molecules}}},
+	volume = {12},
+	year = {2016},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jctc.5b01238}}
 
 @article{Rangel_2017,
-	Author = {Rangel, Tonatiuh and Hamed, Samia M. and Bruneval, Fabien and Neaton, Jeffrey B.},
-	Doi = {10.1063/1.4983126},
-	File = {/Users/loos/Zotero/storage/IPXGTRK7/Rangel_2017.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = may,
-	Number = {19},
-	Pages = {194108},
-	Title = {An Assessment of Low-Lying Excitation Energies and Triplet Instabilities of Organic Molecules with an {\emph{Ab Initio}} {{Bethe}}-{{Salpeter}} Equation Approach and the {{Tamm}}-{{Dancoff}} Approximation},
-	Volume = {146},
-	Year = {2017},
+	author = {Rangel, Tonatiuh and Hamed, Samia M. and Bruneval, Fabien and Neaton, Jeffrey B.},
+	doi = {10.1063/1.4983126},
+	file = {/Users/loos/Zotero/storage/IPXGTRK7/Rangel_2017.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = may,
+	number = {19},
+	pages = {194108},
+	title = {An Assessment of Low-Lying Excitation Energies and Triplet Instabilities of Organic Molecules with an {\emph{Ab Initio}} {{Bethe}}-{{Salpeter}} Equation Approach and the {{Tamm}}-{{Dancoff}} Approximation},
+	volume = {146},
+	year = {2017},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4983126}}
 
 @article{Ren_2013,
-	Author = {Ren, Xinguo and Rinke, Patrick and Scuseria, Gustavo E. and Scheffler, Matthias},
-	Date-Modified = {2018-04-14 07:32:03 +0000},
-	Doi = {10.1103/PhysRevB.88.035120},
-	File = {/Users/loos/Zotero/storage/HMTI4LPK/Ren_2013.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = jul,
-	Number = {3},
-	Pages = {035120},
-	Shorttitle = {Renormalized Second-Order Perturbation Theory for the Electron Correlation Energy},
-	Title = {Renormalized Second-Order Perturbation Theory for the Electron Correlation Energy: {{Concept}}, Implementation, and Benchmarks},
-	Volume = {88},
-	Year = {2013},
+	author = {Ren, Xinguo and Rinke, Patrick and Scuseria, Gustavo E. and Scheffler, Matthias},
+	date-modified = {2018-04-14 07:32:03 +0000},
+	doi = {10.1103/PhysRevB.88.035120},
+	file = {/Users/loos/Zotero/storage/HMTI4LPK/Ren_2013.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = jul,
+	number = {3},
+	pages = {035120},
+	shorttitle = {Renormalized Second-Order Perturbation Theory for the Electron Correlation Energy},
+	title = {Renormalized Second-Order Perturbation Theory for the Electron Correlation Energy: {{Concept}}, Implementation, and Benchmarks},
+	volume = {88},
+	year = {2013},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.88.035120}}
 
 @article{Zhang_2017,
-	Author = {Zhang, Du and Su, Neil Qiang and Yang, Weitao},
-	Doi = {10.1021/acs.jpclett.7b01275},
-	File = {/Users/loos/Zotero/storage/ZJ4HTDNE/Zhang_2017.pdf},
-	Issn = {1948-7185},
-	Journal = {J. Phys. Chem. Lett.},
-	Language = {en},
-	Month = jul,
-	Number = {14},
-	Pages = {3223--3227},
-	Title = {Accurate {{Quasiparticle Spectra}} from the {{T}}-{{Matrix Self}}-{{Energy}} and the {{Particle}}\textendash{}{{Particle Random Phase Approximation}}},
-	Volume = {8},
-	Year = {2017},
+	author = {Zhang, Du and Su, Neil Qiang and Yang, Weitao},
+	doi = {10.1021/acs.jpclett.7b01275},
+	file = {/Users/loos/Zotero/storage/ZJ4HTDNE/Zhang_2017.pdf},
+	issn = {1948-7185},
+	journal = {J. Phys. Chem. Lett.},
+	language = {en},
+	month = jul,
+	number = {14},
+	pages = {3223--3227},
+	title = {Accurate {{Quasiparticle Spectra}} from the {{T}}-{{Matrix Self}}-{{Energy}} and the {{Particle}}\textendash{}{{Particle Random Phase Approximation}}},
+	volume = {8},
+	year = {2017},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jpclett.7b01275}}
 
 @article{Zhukov_2005,
-	Author = {Zhukov, V. P. and Chulkov, E. V. and Echenique, P. M.},
-	Doi = {10.1103/PhysRevB.72.155109},
-	File = {/Users/loos/Zotero/storage/8Q4VYM9Z/Zhukov_2005.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = oct,
-	Number = {15},
-	Title = {{{GW}} + {{T}} Theory of Excited Electron Lifetimes in Metals},
-	Volume = {72},
-	Year = {2005},
+	author = {Zhukov, V. P. and Chulkov, E. V. and Echenique, P. M.},
+	doi = {10.1103/PhysRevB.72.155109},
+	file = {/Users/loos/Zotero/storage/8Q4VYM9Z/Zhukov_2005.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = oct,
+	number = {15},
+	title = {{{GW}} + {{T}} Theory of Excited Electron Lifetimes in Metals},
+	volume = {72},
+	year = {2005},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.72.155109}}
 
 @article{Vlcek_2017,
-	Author = {Vl{\v c}ek, Vojt{\v e}ch and Rabani, Eran and Neuhauser, Daniel and Baer, Roi},
-	Doi = {10.1021/acs.jctc.7b00770},
-	File = {/Users/loos/Zotero/storage/HBVLY4QJ/Vlcek_2017.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = oct,
-	Number = {10},
-	Pages = {4997--5003},
-	Title = {Stochastic {{GW Calculations}} for {{Molecules}}},
-	Volume = {13},
-	Year = {2017},
+	author = {Vl{\v c}ek, Vojt{\v e}ch and Rabani, Eran and Neuhauser, Daniel and Baer, Roi},
+	doi = {10.1021/acs.jctc.7b00770},
+	file = {/Users/loos/Zotero/storage/HBVLY4QJ/Vlcek_2017.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = oct,
+	number = {10},
+	pages = {4997--5003},
+	title = {Stochastic {{GW Calculations}} for {{Molecules}}},
+	volume = {13},
+	year = {2017},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jctc.7b00770}}
 
 @article{Sun_2004,
-	Author = {Sun, Ping and Kotliar, Gabriel},
-	Doi = {10.1103/PhysRevLett.92.196402},
-	File = {/Users/loos/Zotero/storage/HQRU6MCS/Sun_2004.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = may,
-	Number = {19},
-	Title = {Many-{{Body Approximation Scheme}} beyond {{GW}}},
-	Volume = {92},
-	Year = {2004},
+	author = {Sun, Ping and Kotliar, Gabriel},
+	doi = {10.1103/PhysRevLett.92.196402},
+	file = {/Users/loos/Zotero/storage/HQRU6MCS/Sun_2004.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = may,
+	number = {19},
+	title = {Many-{{Body Approximation Scheme}} beyond {{GW}}},
+	volume = {92},
+	year = {2004},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.92.196402}}
 
 @article{Yang_2013,
-	Author = {Yang, Yang and {van Aggelen}, Helen and Steinmann, Stephan N. and Peng, Degao and Yang, Weitao},
-	Doi = {10.1063/1.4828728},
-	File = {/Users/loos/Zotero/storage/9LZMQQNK/Yang_2013.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
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-	Month = nov,
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-	Pages = {174110},
-	Title = {Benchmark Tests and Spin Adaptation for the Particle-Particle Random Phase Approximation},
-	Volume = {139},
-	Year = {2013},
+	author = {Yang, Yang and {van Aggelen}, Helen and Steinmann, Stephan N. and Peng, Degao and Yang, Weitao},
+	doi = {10.1063/1.4828728},
+	file = {/Users/loos/Zotero/storage/9LZMQQNK/Yang_2013.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = nov,
+	number = {17},
+	pages = {174110},
+	title = {Benchmark Tests and Spin Adaptation for the Particle-Particle Random Phase Approximation},
+	volume = {139},
+	year = {2013},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4828728}}
 
 @article{Willow_2013,
-	Author = {Willow, Soohaeng Yoo and Kim, Kwang S. and Hirata, So},
-	Doi = {10.1063/1.4801862},
-	File = {/Users/loos/Zotero/storage/F8QZMTFD/Willow_2013b.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = apr,
-	Number = {16},
-	Pages = {164111},
-	Title = {Stochastic Evaluation of Second-Order {{Dyson}} Self-Energies},
-	Volume = {138},
-	Year = {2013},
+	author = {Willow, Soohaeng Yoo and Kim, Kwang S. and Hirata, So},
+	doi = {10.1063/1.4801862},
+	file = {/Users/loos/Zotero/storage/F8QZMTFD/Willow_2013b.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = apr,
+	number = {16},
+	pages = {164111},
+	title = {Stochastic Evaluation of Second-Order {{Dyson}} Self-Energies},
+	volume = {138},
+	year = {2013},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4801862}}
 
 @article{Leng_2016,
-	Author = {Leng, Xia and Jin, Fan and Wei, Min and Ma, Yuchen},
-	Doi = {10.1002/wcms.1265},
-	Issn = {17590876},
-	Journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
-	Language = {en},
-	Month = sep,
-	Number = {5},
-	Pages = {532--550},
-	Shorttitle = {{{GW}} Method and {{Bethe}}-{{Salpeter}} Equation for Calculating Electronic Excitations},
-	Title = {{{GW}} Method and {{Bethe}}-{{Salpeter}} Equation for Calculating Electronic Excitations: {{GW}} Method and {{Bethe}}-{{Salpeter}} Equation},
-	Volume = {6},
-	Year = {2016},
+	author = {Leng, Xia and Jin, Fan and Wei, Min and Ma, Yuchen},
+	doi = {10.1002/wcms.1265},
+	issn = {17590876},
+	journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
+	language = {en},
+	month = sep,
+	number = {5},
+	pages = {532--550},
+	shorttitle = {{{GW}} Method and {{Bethe}}-{{Salpeter}} Equation for Calculating Electronic Excitations},
+	title = {{{GW}} Method and {{Bethe}}-{{Salpeter}} Equation for Calculating Electronic Excitations: {{GW}} Method and {{Bethe}}-{{Salpeter}} Equation},
+	volume = {6},
+	year = {2016},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1002/wcms.1265}}
 
 @article{Ke_2011,
-	Author = {Ke, San-Huang},
-	Date-Modified = {2018-04-14 07:26:29 +0000},
-	Doi = {10.1103/PhysRevB.84.205415},
-	File = {/Users/loos/Zotero/storage/98P28A6E/Ke_2011.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = nov,
-	Number = {20},
-	Pages = {205415},
-	Shorttitle = {All-Electron {{G W}} Methods Implemented in Molecular Orbital Space},
-	Title = {All-Electron {{G W}} Methods Implemented in Molecular Orbital Space: {{Ionization}} Energy and Electron Affinity of Conjugated Molecules},
-	Volume = {84},
-	Year = {2011},
+	author = {Ke, San-Huang},
+	date-modified = {2018-04-14 07:26:29 +0000},
+	doi = {10.1103/PhysRevB.84.205415},
+	file = {/Users/loos/Zotero/storage/98P28A6E/Ke_2011.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = nov,
+	number = {20},
+	pages = {205415},
+	shorttitle = {All-Electron {{G W}} Methods Implemented in Molecular Orbital Space},
+	title = {All-Electron {{G W}} Methods Implemented in Molecular Orbital Space: {{Ionization}} Energy and Electron Affinity of Conjugated Molecules},
+	volume = {84},
+	year = {2011},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.84.205415}}
 
 @article{Knowles_1985,
-	Author = {Knowles, P. J. and Somasundram, K. and Handy, N. C. and Hirao, K.},
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+	author = {Knowles, P. J. and Somasundram, K. and Handy, N. C. and Hirao, K.},
+	file = {/Users/loos/Zotero/storage/KGTI53ND/Knowles_1985.pdf},
+	journal = {Chem. Phys. Lett.},
+	number = {1},
+	pages = {8--12},
+	title = {The Calculation of Higher-Order Energies in the Many-Body Perturbation Theory Series},
+	volume = {113},
+	year = {1985}}
 
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-	Pages = {75--83},
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-	Volume = {54},
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+	author = {Knowles, Peter J. and Handy, Nicholas C.},
+	file = {/Users/loos/Zotero/storage/XWJJMYAA/Knowles_1989.pdf},
+	journal = {Comput. Phys. Commun.},
+	number = {1},
+	pages = {75--83},
+	title = {A Determinant Based Full Configuration Interaction Program},
+	volume = {54},
+	year = {1989}}
 
 @article{Koval_2014,
-	Author = {Koval, P. and Foerster, D. and S{\'a}nchez-Portal, D.},
-	Date-Modified = {2018-04-14 07:24:04 +0000},
-	Doi = {10.1103/PhysRevB.89.155417},
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-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
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-	Month = apr,
-	Number = {15},
-	Pages = {155417},
-	Title = {Fully Self-Consistent {{G W}} and Quasiparticle Self-Consistent {{G W}} for Molecules},
-	Volume = {89},
-	Year = {2014},
+	author = {Koval, P. and Foerster, D. and S{\'a}nchez-Portal, D.},
+	date-modified = {2018-04-14 07:24:04 +0000},
+	doi = {10.1103/PhysRevB.89.155417},
+	file = {/Users/loos/Zotero/storage/G3WW5DMD/Koval_2014.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = apr,
+	number = {15},
+	pages = {155417},
+	title = {Fully Self-Consistent {{G W}} and Quasiparticle Self-Consistent {{G W}} for Molecules},
+	volume = {89},
+	year = {2014},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.89.155417}}
 
 @article{Ku_2002,
-	Author = {Ku, Wei and Eguiluz, Adolfo G.},
-	Date-Modified = {2018-04-14 07:25:01 +0000},
-	Doi = {10.1103/PhysRevLett.89.126401},
-	File = {/Users/loos/Zotero/storage/AATBUYZP/Ku_2002.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = aug,
-	Number = {12},
-	Pages = {126401},
-	Shorttitle = {Band-{{Gap Problem}} in {{Semiconductors Revisited}}},
-	Title = {Band-{{Gap Problem}} in {{Semiconductors Revisited}}: {{Effects}} of {{Core States}} and {{Many}}-{{Body Self}}-{{Consistency}}},
-	Volume = {89},
-	Year = {2002},
+	author = {Ku, Wei and Eguiluz, Adolfo G.},
+	date-modified = {2018-04-14 07:25:01 +0000},
+	doi = {10.1103/PhysRevLett.89.126401},
+	file = {/Users/loos/Zotero/storage/AATBUYZP/Ku_2002.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = aug,
+	number = {12},
+	pages = {126401},
+	shorttitle = {Band-{{Gap Problem}} in {{Semiconductors Revisited}}},
+	title = {Band-{{Gap Problem}} in {{Semiconductors Revisited}}: {{Effects}} of {{Core States}} and {{Many}}-{{Body Self}}-{{Consistency}}},
+	volume = {89},
+	year = {2002},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.89.126401}}
 
 @article{Lani_2012,
-	Author = {Lani, Giovanna and Romaniello, Pina and Reining, Lucia},
-	Doi = {10.1088/1367-2630/14/1/013056},
-	File = {/Users/loos/Zotero/storage/RP3LEGVA/Lani_2012.pdf},
-	Issn = {1367-2630},
-	Journal = {New J. Phys.},
-	Month = jan,
-	Number = {1},
-	Pages = {013056},
-	Shorttitle = {Approximations for Many-Body {{Green}}'s Functions},
-	Title = {Approximations for Many-Body {{Green}}'s Functions: Insights from the Fundamental Equations},
-	Volume = {14},
-	Year = {2012},
+	author = {Lani, Giovanna and Romaniello, Pina and Reining, Lucia},
+	doi = {10.1088/1367-2630/14/1/013056},
+	file = {/Users/loos/Zotero/storage/RP3LEGVA/Lani_2012.pdf},
+	issn = {1367-2630},
+	journal = {New J. Phys.},
+	month = jan,
+	number = {1},
+	pages = {013056},
+	shorttitle = {Approximations for Many-Body {{Green}}'s Functions},
+	title = {Approximations for Many-Body {{Green}}'s Functions: Insights from the Fundamental Equations},
+	volume = {14},
+	year = {2012},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1088/1367-2630/14/1/013056}}
 
 @article{Li_2017,
-	Author = {Li, Jing and Holzmann, Markus and Duchemin, Ivan and Blase, Xavier and Olevano, Valerio},
-	Date-Modified = {2018-04-14 07:19:11 +0000},
-	Doi = {10.1103/PhysRevLett.118.163001},
-	File = {/Users/loos/Zotero/storage/C5UCU783/Li_2017.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = apr,
-	Number = {16},
-	Pages = {163001},
-	Title = {Helium {{Atom Excitations}} by the {{G W}} and {{Bethe}}-{{Salpeter Many}}-{{Body Formalism}}},
-	Volume = {118},
-	Year = {2017},
+	author = {Li, Jing and Holzmann, Markus and Duchemin, Ivan and Blase, Xavier and Olevano, Valerio},
+	date-modified = {2018-04-14 07:19:11 +0000},
+	doi = {10.1103/PhysRevLett.118.163001},
+	file = {/Users/loos/Zotero/storage/C5UCU783/Li_2017.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = apr,
+	number = {16},
+	pages = {163001},
+	title = {Helium {{Atom Excitations}} by the {{G W}} and {{Bethe}}-{{Salpeter Many}}-{{Body Formalism}}},
+	volume = {118},
+	year = {2017},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.118.163001}}
 
 @article{Maebashi_2011,
-	Author = {Maebashi, Hideaki and Takada, Yasutami},
-	Date-Modified = {2018-04-14 07:29:04 +0000},
-	Doi = {10.1103/PhysRevB.84.245134},
-	File = {/Users/loos/Zotero/storage/QXM683TM/Maebashi_2011.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = dec,
-	Number = {24},
-	Pages = {245134},
-	Title = {Analysis of Exact Vertex Function for Improving on the {{GW $\Gamma$}} Scheme for First-Principles Calculation of Electron Self-Energy},
-	Volume = {84},
-	Year = {2011},
+	author = {Maebashi, Hideaki and Takada, Yasutami},
+	date-modified = {2018-04-14 07:29:04 +0000},
+	doi = {10.1103/PhysRevB.84.245134},
+	file = {/Users/loos/Zotero/storage/QXM683TM/Maebashi_2011.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = dec,
+	number = {24},
+	pages = {245134},
+	title = {Analysis of Exact Vertex Function for Improving on the {{GW $\Gamma$}} Scheme for First-Principles Calculation of Electron Self-Energy},
+	volume = {84},
+	year = {2011},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.84.245134}}
 
 @article{Mahan_1989,
-	Author = {Mahan, G. D. and Sernelius, B. E.},
-	File = {/Users/loos/Zotero/storage/IUL4DA6H/Mahan_1989.pdf},
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-	Pages = {2718},
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-	Volume = {62},
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+	author = {Mahan, G. D. and Sernelius, B. E.},
+	file = {/Users/loos/Zotero/storage/IUL4DA6H/Mahan_1989.pdf},
+	journal = {Phys. Rev. Lett.},
+	number = {23},
+	pages = {2718},
+	title = {Electron-Electron Interactions and the Bandwidth of Metals},
+	volume = {62},
+	year = {1989}}
 
 @article{Head-Gordon_1999,
-	Author = {Head-Gordon, Martin and Oumi, Manabu and Maurice, David},
-	Doi = {10.1080/00268979909482996},
-	File = {/Users/loos/Zotero/storage/TDLEI2LU/Head-Gordon_1999.pdf},
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-	Journal = {Mol. Phys.},
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-	Pages = {593--602},
-	Title = {Quasidegenerate Second-Order Perturbation Corrections to Single-Excitation Configuration Interaction},
-	Volume = {96},
-	Year = {1999},
+	author = {Head-Gordon, Martin and Oumi, Manabu and Maurice, David},
+	doi = {10.1080/00268979909482996},
+	file = {/Users/loos/Zotero/storage/TDLEI2LU/Head-Gordon_1999.pdf},
+	issn = {0026-8976, 1362-3028},
+	journal = {Mol. Phys.},
+	language = {en},
+	month = feb,
+	number = {4},
+	pages = {593--602},
+	title = {Quasidegenerate Second-Order Perturbation Corrections to Single-Excitation Configuration Interaction},
+	volume = {96},
+	year = {1999},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1080/00268979909482996}}
 
 @article{Hedin_1965,
-	Author = {Hedin, Lars},
-	Date-Modified = {2018-07-05 09:34:29 +0000},
-	Doi = {10.1103/PhysRev.139.A796},
-	File = {/Users/loos/Zotero/storage/ZGMCVKPC/Hedin_1965.pdf},
-	Journal = {Phys. Rev.},
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-	Pages = {A796},
-	Title = {New Method for Calculating the One-Particle {{Green}}'s Function with Application to the Electron-Gas Problem},
-	Volume = {139},
-	Year = {1965},
+	author = {Hedin, Lars},
+	date-modified = {2018-07-05 09:34:29 +0000},
+	doi = {10.1103/PhysRev.139.A796},
+	file = {/Users/loos/Zotero/storage/ZGMCVKPC/Hedin_1965.pdf},
+	journal = {Phys. Rev.},
+	number = {3A},
+	pages = {A796},
+	title = {New Method for Calculating the One-Particle {{Green}}'s Function with Application to the Electron-Gas Problem},
+	volume = {139},
+	year = {1965},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRev.139.A796}}
 
 @article{Ohnishi_2016,
-	Author = {Ohnishi, Yu-ya and Ten-no, Seiichiro},
-	Date-Modified = {2019-10-26 21:01:47 +0200},
-	Doi = {10.1002/jcc.24468},
-	File = {/Users/loos/Zotero/storage/6QF6TQIF/Ohnishi_2016.pdf},
-	Issn = {01928651},
-	Journal = {J. Comput. Chem.},
-	Language = {en},
-	Month = oct,
-	Number = {27},
-	Pages = {2447--2453},
-	Shorttitle = {Explicitly Correlated Frequency-Independent Second-Order Green's Function for Accurate Ionization Energies},
-	Title = {Explicitly Correlated Frequency-Independent Second-Order Green's Function for Accurate Ionization Energies},
-	Volume = {37},
-	Year = {2016},
+	author = {Ohnishi, Yu-ya and Ten-no, Seiichiro},
+	date-modified = {2019-10-26 21:01:47 +0200},
+	doi = {10.1002/jcc.24468},
+	file = {/Users/loos/Zotero/storage/6QF6TQIF/Ohnishi_2016.pdf},
+	issn = {01928651},
+	journal = {J. Comput. Chem.},
+	language = {en},
+	month = oct,
+	number = {27},
+	pages = {2447--2453},
+	shorttitle = {Explicitly Correlated Frequency-Independent Second-Order Green's Function for Accurate Ionization Energies},
+	title = {Explicitly Correlated Frequency-Independent Second-Order Green's Function for Accurate Ionization Energies},
+	volume = {37},
+	year = {2016},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1002/jcc.24468}}
 
 @article{Hellgren_2015,
-	Author = {Hellgren, Maria and Caruso, Fabio and Rohr, Daniel R. and Ren, Xinguo and Rubio, Angel and Scheffler, Matthias and Rinke, Patrick},
-	Date-Modified = {2018-04-14 07:22:53 +0000},
-	Doi = {10.1103/PhysRevB.91.165110},
-	File = {/Users/loos/Zotero/storage/CXHEK6Z6/Hellgren_2015.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = apr,
-	Number = {16},
-	Pages = {165110},
-	Title = {Static Correlation and Electron Localization in Molecular Dimers from the Self-Consistent {{RPA}} and {{G W}} Approximation},
-	Volume = {91},
-	Year = {2015},
+	author = {Hellgren, Maria and Caruso, Fabio and Rohr, Daniel R. and Ren, Xinguo and Rubio, Angel and Scheffler, Matthias and Rinke, Patrick},
+	date-modified = {2018-04-14 07:22:53 +0000},
+	doi = {10.1103/PhysRevB.91.165110},
+	file = {/Users/loos/Zotero/storage/CXHEK6Z6/Hellgren_2015.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = apr,
+	number = {16},
+	pages = {165110},
+	title = {Static Correlation and Electron Localization in Molecular Dimers from the Self-Consistent {{RPA}} and {{G W}} Approximation},
+	volume = {91},
+	year = {2015},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.91.165110}}
 
 @article{Steinbeck_2000,
-	Author = {Steinbeck, L. and Rubio, A. and Reining, L. and Torrent, M. and White, I. D. and Godby, R. W.},
-	File = {/Users/loos/Zotero/storage/4VL6BH4F/Steinbeck_2000.pdf},
-	Journal = {Comput. Phys. Commun.},
-	Number = {1-3},
-	Pages = {105--118},
-	Title = {Enhancements to the {{GW}} Space-Time Method},
-	Volume = {125},
-	Year = {2000}}
+	author = {Steinbeck, L. and Rubio, A. and Reining, L. and Torrent, M. and White, I. D. and Godby, R. W.},
+	file = {/Users/loos/Zotero/storage/4VL6BH4F/Steinbeck_2000.pdf},
+	journal = {Comput. Phys. Commun.},
+	number = {1-3},
+	pages = {105--118},
+	title = {Enhancements to the {{GW}} Space-Time Method},
+	volume = {125},
+	year = {2000}}
 
 @article{Hindgren_1997,
-	Author = {Hindgren, M. and Almbladh, C.-O.},
-	File = {/Users/loos/Zotero/storage/V2CSCPQJ/Hindgren_1997.pdf},
-	Journal = {Phys. Rev. B},
-	Number = {20},
-	Pages = {12832},
-	Shorttitle = {Improved Local-Field Corrections to the {{G}} 0 {{W}} Approximation in Jellium},
-	Title = {Improved Local-Field Corrections to the {{G}} 0 {{W}} Approximation in Jellium: {{Importance}} of Consistency Relations},
-	Volume = {56},
-	Year = {1997}}
+	author = {Hindgren, M. and Almbladh, C.-O.},
+	file = {/Users/loos/Zotero/storage/V2CSCPQJ/Hindgren_1997.pdf},
+	journal = {Phys. Rev. B},
+	number = {20},
+	pages = {12832},
+	shorttitle = {Improved Local-Field Corrections to the {{G}} 0 {{W}} Approximation in Jellium},
+	title = {Improved Local-Field Corrections to the {{G}} 0 {{W}} Approximation in Jellium: {{Importance}} of Consistency Relations},
+	volume = {56},
+	year = {1997}}
 
 @article{Hirata_2015,
-	Author = {Hirata, So and Hermes, Matthew R. and Simons, Jack and Ortiz, J. V.},
-	Doi = {10.1021/acs.jctc.5b00005},
-	File = {/Users/loos/Zotero/storage/FECAFSNP/Hirata_2015.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = apr,
-	Number = {4},
-	Pages = {1595--1606},
-	Title = {General-{{Order Many}}-{{Body Green}}'s {{Function Method}}},
-	Volume = {11},
-	Year = {2015},
+	author = {Hirata, So and Hermes, Matthew R. and Simons, Jack and Ortiz, J. V.},
+	doi = {10.1021/acs.jctc.5b00005},
+	file = {/Users/loos/Zotero/storage/FECAFSNP/Hirata_2015.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = apr,
+	number = {4},
+	pages = {1595--1606},
+	title = {General-{{Order Many}}-{{Body Green}}'s {{Function Method}}},
+	volume = {11},
+	year = {2015},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jctc.5b00005}}
 
 @article{Hirata_2017,
-	Author = {Hirata, So and Doran, Alexander E. and Knowles, Peter J. and Ortiz, J. V.},
-	Doi = {10.1063/1.4994837},
-	File = {/Users/loos/Zotero/storage/XYSAJSW4/Hirata_2017.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = jul,
-	Number = {4},
-	Pages = {044108},
-	Shorttitle = {One-Particle Many-Body {{Green}}'s Function Theory},
-	Title = {One-Particle Many-Body {{Green}}'s Function Theory: {{Algebraic}} Recursive Definitions, Linked-Diagram Theorem, Irreducible-Diagram Theorem, and General-Order Algorithms},
-	Volume = {147},
-	Year = {2017},
+	author = {Hirata, So and Doran, Alexander E. and Knowles, Peter J. and Ortiz, J. V.},
+	doi = {10.1063/1.4994837},
+	file = {/Users/loos/Zotero/storage/XYSAJSW4/Hirata_2017.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = jul,
+	number = {4},
+	pages = {044108},
+	shorttitle = {One-Particle Many-Body {{Green}}'s Function Theory},
+	title = {One-Particle Many-Body {{Green}}'s Function Theory: {{Algebraic}} Recursive Definitions, Linked-Diagram Theorem, Irreducible-Diagram Theorem, and General-Order Algorithms},
+	volume = {147},
+	year = {2017},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4994837}}
 
 @article{vanSetten_2018,
-	Author = {{van Setten}, Michiel J. and Costa, Ramon and Vi{\~n}es, Francesc and Illas, Francesc},
-	Doi = {10.1021/acs.jctc.7b01192},
-	File = {/Users/loos/Zotero/storage/2KY9G5DS/vanSetten_2018.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = feb,
-	Number = {2},
-	Pages = {877--883},
-	Title = {Assessing {{{\emph{GW}}}} {{Approaches}} for {{Predicting Core Level Binding Energies}}},
-	Volume = {14},
-	Year = {2018},
+	author = {{van Setten}, Michiel J. and Costa, Ramon and Vi{\~n}es, Francesc and Illas, Francesc},
+	doi = {10.1021/acs.jctc.7b01192},
+	file = {/Users/loos/Zotero/storage/2KY9G5DS/vanSetten_2018.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = feb,
+	number = {2},
+	pages = {877--883},
+	title = {Assessing {{{\emph{GW}}}} {{Approaches}} for {{Predicting Core Level Binding Energies}}},
+	volume = {14},
+	year = {2018},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jctc.7b01192}}
 
 @article{vanAggelen_2013,
-	Author = {{van Aggelen}, Helen and Yang, Yang and Yang, Weitao},
-	Doi = {10.1103/PhysRevA.88.030501},
-	File = {/Users/loos/Zotero/storage/QWPW6HYS/vanAggelen_2013.pdf},
-	Issn = {1050-2947, 1094-1622},
-	Journal = {Phys. Rev. A},
-	Language = {en},
-	Month = sep,
-	Number = {3},
-	Title = {Exchange-Correlation Energy from Pairing Matrix Fluctuation and the Particle-Particle Random-Phase Approximation},
-	Volume = {88},
-	Year = {2013},
+	author = {{van Aggelen}, Helen and Yang, Yang and Yang, Weitao},
+	doi = {10.1103/PhysRevA.88.030501},
+	file = {/Users/loos/Zotero/storage/QWPW6HYS/vanAggelen_2013.pdf},
+	issn = {1050-2947, 1094-1622},
+	journal = {Phys. Rev. A},
+	language = {en},
+	month = sep,
+	number = {3},
+	title = {Exchange-Correlation Energy from Pairing Matrix Fluctuation and the Particle-Particle Random-Phase Approximation},
+	volume = {88},
+	year = {2013},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevA.88.030501}}
 
 @article{vanAggelen_2014,
-	Author = {{van Aggelen}, Helen and Yang, Yang and Yang, Weitao},
-	Doi = {10.1063/1.4865816},
-	File = {/Users/loos/Zotero/storage/JPZDDCA4/vanAggelen_2014.pdf},
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-	Journal = {J. Chem. Phys.},
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-	Month = may,
-	Number = {18},
-	Pages = {18A511},
-	Title = {Exchange-Correlation Energy from Pairing Matrix Fluctuation and the Particle-Particle Random Phase Approximation},
-	Volume = {140},
-	Year = {2014},
+	author = {{van Aggelen}, Helen and Yang, Yang and Yang, Weitao},
+	doi = {10.1063/1.4865816},
+	file = {/Users/loos/Zotero/storage/JPZDDCA4/vanAggelen_2014.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = may,
+	number = {18},
+	pages = {18A511},
+	title = {Exchange-Correlation Energy from Pairing Matrix Fluctuation and the Particle-Particle Random Phase Approximation},
+	volume = {140},
+	year = {2014},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4865816}}
 
 @article{vanSetten_2013,
-	Author = {{van Setten}, M. J. and Weigend, F. and Evers, F.},
-	Doi = {10.1021/ct300648t},
-	File = {/Users/loos/Zotero/storage/SLTIFNCK/vanSetten_2013.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = jan,
-	Number = {1},
-	Pages = {232--246},
-	Shorttitle = {The {{{\emph{GW}}}} -{{Method}} for {{Quantum Chemistry Applications}}},
-	Title = {The {{{\emph{GW}}}} -{{Method}} for {{Quantum Chemistry Applications}}: {{Theory}} and {{Implementation}}},
-	Volume = {9},
-	Year = {2013},
+	author = {{van Setten}, M. J. and Weigend, F. and Evers, F.},
+	doi = {10.1021/ct300648t},
+	file = {/Users/loos/Zotero/storage/SLTIFNCK/vanSetten_2013.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = jan,
+	number = {1},
+	pages = {232--246},
+	shorttitle = {The {{{\emph{GW}}}} -{{Method}} for {{Quantum Chemistry Applications}}},
+	title = {The {{{\emph{GW}}}} -{{Method}} for {{Quantum Chemistry Applications}}: {{Theory}} and {{Implementation}}},
+	volume = {9},
+	year = {2013},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1021/ct300648t}}
 
 @article{Trofimov_2002,
-	Author = {Trofimov, A. B. and Stelter, G. and Schirmer, J.},
-	Doi = {10.1063/1.1504708},
-	File = {/Users/loos/Zotero/storage/BFV2TPGP/Trofimov_2002.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = oct,
-	Number = {14},
-	Pages = {6402--6410},
-	Shorttitle = {Electron Excitation Energies Using a Consistent Third-Order Propagator Approach},
-	Title = {Electron Excitation Energies Using a Consistent Third-Order Propagator Approach: {{Comparison}} with Full Configuration Interaction and Coupled Cluster Results},
-	Volume = {117},
-	Year = {2002},
+	author = {Trofimov, A. B. and Stelter, G. and Schirmer, J.},
+	doi = {10.1063/1.1504708},
+	file = {/Users/loos/Zotero/storage/BFV2TPGP/Trofimov_2002.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = oct,
+	number = {14},
+	pages = {6402--6410},
+	shorttitle = {Electron Excitation Energies Using a Consistent Third-Order Propagator Approach},
+	title = {Electron Excitation Energies Using a Consistent Third-Order Propagator Approach: {{Comparison}} with Full Configuration Interaction and Coupled Cluster Results},
+	volume = {117},
+	year = {2002},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.1504708}}
 
 @article{Trofimov_2005,
-	Author = {Trofimov, A. B. and Schirmer, J.},
-	Doi = {10.1063/1.2047550},
-	File = {/Users/loos/Zotero/storage/DVPFF5F8/Trofimov_2005.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = oct,
-	Number = {14},
-	Pages = {144115},
-	Title = {Molecular Ionization Energies and Ground- and Ionic-State Properties Using a Non-{{Dyson}} Electron Propagator Approach},
-	Volume = {123},
-	Year = {2005},
+	author = {Trofimov, A. B. and Schirmer, J.},
+	doi = {10.1063/1.2047550},
+	file = {/Users/loos/Zotero/storage/DVPFF5F8/Trofimov_2005.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = oct,
+	number = {14},
+	pages = {144115},
+	title = {Molecular Ionization Energies and Ground- and Ionic-State Properties Using a Non-{{Dyson}} Electron Propagator Approach},
+	volume = {123},
+	year = {2005},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.2047550}}
 
 @article{Trofimov_2006,
-	Author = {Trofimov, A.B. and Krivdina, I.L. and Weller, J. and Schirmer, J.},
-	Doi = {10.1016/j.chemphys.2006.07.015},
-	File = {/Users/loos/Zotero/storage/IYH37EES/Trofimov_2006.pdf},
-	Issn = {03010104},
-	Journal = {Chem. Phys.},
-	Language = {en},
-	Month = oct,
-	Number = {1-3},
-	Pages = {1--10},
-	Title = {Algebraic-Diagrammatic Construction Propagator Approach to Molecular Response Properties},
-	Volume = {329},
-	Year = {2006},
+	author = {Trofimov, A.B. and Krivdina, I.L. and Weller, J. and Schirmer, J.},
+	doi = {10.1016/j.chemphys.2006.07.015},
+	file = {/Users/loos/Zotero/storage/IYH37EES/Trofimov_2006.pdf},
+	issn = {03010104},
+	journal = {Chem. Phys.},
+	language = {en},
+	month = oct,
+	number = {1-3},
+	pages = {1--10},
+	title = {Algebraic-Diagrammatic Construction Propagator Approach to Molecular Response Properties},
+	volume = {329},
+	year = {2006},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1016/j.chemphys.2006.07.015}}
 
 @article{Umari_2009,
-	Author = {Umari, P. and Stenuit, Geoffrey and Baroni, Stefano},
-	Doi = {10.1103/PhysRevB.79.201104},
-	File = {/Users/loos/Zotero/storage/PXE8MFW3/Umari_2009.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = may,
-	Number = {20},
-	Title = {Optimal Representation of the Polarization Propagator for Large-Scale {{G W}} Calculations},
-	Volume = {79},
-	Year = {2009},
+	author = {Umari, P. and Stenuit, Geoffrey and Baroni, Stefano},
+	doi = {10.1103/PhysRevB.79.201104},
+	file = {/Users/loos/Zotero/storage/PXE8MFW3/Umari_2009.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = may,
+	number = {20},
+	title = {Optimal Representation of the Polarization Propagator for Large-Scale {{G W}} Calculations},
+	volume = {79},
+	year = {2009},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.79.201104}}
 
 @article{Tiago_2006,
-	Author = {Tiago, Murilo L. and Chelikowsky, James R.},
-	Doi = {10.1103/PhysRevB.73.205334},
-	File = {/Users/loos/Zotero/storage/3YTWEDNW/Tiago_2006.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = may,
-	Number = {20},
-	Title = {Optical Excitations in Organic Molecules, Clusters, and Defects Studied by First-Principles {{Green}}'s Function Methods},
-	Volume = {73},
-	Year = {2006},
+	author = {Tiago, Murilo L. and Chelikowsky, James R.},
+	doi = {10.1103/PhysRevB.73.205334},
+	file = {/Users/loos/Zotero/storage/3YTWEDNW/Tiago_2006.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = may,
+	number = {20},
+	title = {Optical Excitations in Organic Molecules, Clusters, and Defects Studied by First-Principles {{Green}}'s Function Methods},
+	volume = {73},
+	year = {2006},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.73.205334}}
 
 @article{Ou_2016,
-	Author = {Ou, Qi and Subotnik, Joseph E.},
-	Doi = {10.1021/acs.jpca.6b03294},
-	File = {/Users/loos/Zotero/storage/9L34S2JP/Ou_2016.pdf},
-	Issn = {1089-5639, 1520-5215},
-	Journal = {J. Phys. Chem. A},
-	Language = {en},
-	Month = jul,
-	Number = {26},
-	Pages = {4514--4525},
-	Shorttitle = {Comparison between {{{\emph{GW}}}} and {{Wave}}-{{Function}}-{{Based Approaches}}},
-	Title = {Comparison between {{{\emph{GW}}}} and {{Wave}}-{{Function}}-{{Based Approaches}}: {{Calculating}} the {{Ionization Potential}} and {{Electron Affinity}} for {{1D Hubbard Chains}}},
-	Volume = {120},
-	Year = {2016},
+	author = {Ou, Qi and Subotnik, Joseph E.},
+	doi = {10.1021/acs.jpca.6b03294},
+	file = {/Users/loos/Zotero/storage/9L34S2JP/Ou_2016.pdf},
+	issn = {1089-5639, 1520-5215},
+	journal = {J. Phys. Chem. A},
+	language = {en},
+	month = jul,
+	number = {26},
+	pages = {4514--4525},
+	shorttitle = {Comparison between {{{\emph{GW}}}} and {{Wave}}-{{Function}}-{{Based Approaches}}},
+	title = {Comparison between {{{\emph{GW}}}} and {{Wave}}-{{Function}}-{{Based Approaches}}: {{Calculating}} the {{Ionization Potential}} and {{Electron Affinity}} for {{1D Hubbard Chains}}},
+	volume = {120},
+	year = {2016},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jpca.6b03294}}
 
 @article{Ou_2018,
-	Author = {Ou, Qi and Subotnik, Joseph E.},
-	Doi = {10.1021/acs.jctc.7b00246},
-	File = {/Users/loos/Zotero/storage/2J2XU5F7/Ou_2017.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = feb,
-	Number = {2},
-	Pages = {527--542},
-	Shorttitle = {Comparison between the {{Bethe}}\textendash{}{{Salpeter Equation}} and {{Configuration Interaction Approaches}} for {{Solving}} a {{Quantum Chemistry Problem}}},
-	Title = {Comparison between the {{Bethe}}\textendash{}{{Salpeter Equation}} and {{Configuration Interaction Approaches}} for {{Solving}} a {{Quantum Chemistry Problem}}: {{Calculating}} the {{Excitation Energy}} for {{Finite 1D Hubbard Chains}}},
-	Volume = {14},
-	Year = {2018},
+	author = {Ou, Qi and Subotnik, Joseph E.},
+	doi = {10.1021/acs.jctc.7b00246},
+	file = {/Users/loos/Zotero/storage/2J2XU5F7/Ou_2017.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = feb,
+	number = {2},
+	pages = {527--542},
+	shorttitle = {Comparison between the {{Bethe}}\textendash{}{{Salpeter Equation}} and {{Configuration Interaction Approaches}} for {{Solving}} a {{Quantum Chemistry Problem}}},
+	title = {Comparison between the {{Bethe}}\textendash{}{{Salpeter Equation}} and {{Configuration Interaction Approaches}} for {{Solving}} a {{Quantum Chemistry Problem}}: {{Calculating}} the {{Excitation Energy}} for {{Finite 1D Hubbard Chains}}},
+	volume = {14},
+	year = {2018},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jctc.7b00246}}
 
 @article{Romaniello_2009,
-	Author = {Romaniello, P. and Guyot, S. and Reining, L.},
-	Doi = {10.1063/1.3249965},
-	File = {/Users/loos/Zotero/storage/WCWVRT3M/Romaniello_2009.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = oct,
-	Number = {15},
-	Pages = {154111},
-	Shorttitle = {The Self-Energy beyond {{GW}}},
-	Title = {The Self-Energy beyond {{GW}}: {{Local}} and Nonlocal Vertex Corrections},
-	Volume = {131},
-	Year = {2009},
+	author = {Romaniello, P. and Guyot, S. and Reining, L.},
+	doi = {10.1063/1.3249965},
+	file = {/Users/loos/Zotero/storage/WCWVRT3M/Romaniello_2009.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = oct,
+	number = {15},
+	pages = {154111},
+	shorttitle = {The Self-Energy beyond {{GW}}},
+	title = {The Self-Energy beyond {{GW}}: {{Local}} and Nonlocal Vertex Corrections},
+	volume = {131},
+	year = {2009},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.3249965}}
 
 @article{Tarantino_2017,
-	Author = {Tarantino, Walter and Romaniello, Pina and Berger, J. A. and Reining, Lucia},
-	Date-Modified = {2018-04-14 07:27:03 +0000},
-	Doi = {10.1103/PhysRevB.96.045124},
-	File = {/Users/loos/Zotero/storage/PE5YGU7F/Romaniello_2017.pdf},
-	Issn = {2469-9950, 2469-9969},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = jul,
-	Number = {4},
-	Pages = {045124},
-	Shorttitle = {Self-Consistent {{Dyson}} Equation and Self-Energy Functionals},
-	Title = {Self-Consistent {{Dyson}} Equation and Self-Energy Functionals: {{An}} Analysis and Illustration on the Example of the {{Hubbard}} Atom},
-	Volume = {96},
-	Year = {2017},
+	author = {Tarantino, Walter and Romaniello, Pina and Berger, J. A. and Reining, Lucia},
+	date-modified = {2018-04-14 07:27:03 +0000},
+	doi = {10.1103/PhysRevB.96.045124},
+	file = {/Users/loos/Zotero/storage/PE5YGU7F/Romaniello_2017.pdf},
+	issn = {2469-9950, 2469-9969},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = jul,
+	number = {4},
+	pages = {045124},
+	shorttitle = {Self-Consistent {{Dyson}} Equation and Self-Energy Functionals},
+	title = {Self-Consistent {{Dyson}} Equation and Self-Energy Functionals: {{An}} Analysis and Illustration on the Example of the {{Hubbard}} Atom},
+	volume = {96},
+	year = {2017},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.96.045124}}
 
 @article{Takada_2001,
-	Author = {Takada, Yasutami},
-	Doi = {10.1103/PhysRevLett.87.226402},
-	File = {/Users/loos/Zotero/storage/N3BXLFU9/Takada_2001.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = nov,
-	Number = {22},
-	Title = {Inclusion of {{Vertex Corrections}} in the {{Self}}-{{Consistent Calculation}} of {{Quasiparticles}} in {{Metals}}},
-	Volume = {87},
-	Year = {2001},
+	author = {Takada, Yasutami},
+	doi = {10.1103/PhysRevLett.87.226402},
+	file = {/Users/loos/Zotero/storage/N3BXLFU9/Takada_2001.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = nov,
+	number = {22},
+	title = {Inclusion of {{Vertex Corrections}} in the {{Self}}-{{Consistent Calculation}} of {{Quasiparticles}} in {{Metals}}},
+	volume = {87},
+	year = {2001},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.87.226402}}
 
 @article{Tempere_2002,
-	Author = {Tempere, J. and Silvera, I. F. and Devreese, J. T.},
-	Doi = {10.1103/PhysRevB.65.195418},
-	File = {/Users/loos/Zotero/storage/W8QP2SXG/Tempere_2002.pdf},
-	Issn = {0163-1829, 1095-3795},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = may,
-	Number = {19},
-	Title = {Many-Body Properties of a Spherical Two-Dimensional Electron Gas},
-	Volume = {65},
-	Year = {2002},
+	author = {Tempere, J. and Silvera, I. F. and Devreese, J. T.},
+	doi = {10.1103/PhysRevB.65.195418},
+	file = {/Users/loos/Zotero/storage/W8QP2SXG/Tempere_2002.pdf},
+	issn = {0163-1829, 1095-3795},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = may,
+	number = {19},
+	title = {Many-Body Properties of a Spherical Two-Dimensional Electron Gas},
+	volume = {65},
+	year = {2002},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.65.195418}}
 
 @article{Tempere_2007,
-	Author = {Tempere, J and Silvera, I and Devreese, J},
-	Doi = {10.1016/j.surfrep.2007.03.001},
-	File = {/Users/loos/Zotero/storage/9EDTRQQ5/Tempere_2007.pdf},
-	Issn = {01675729},
-	Journal = {Surf. Sci. Rep.},
-	Language = {en},
-	Month = may,
-	Number = {5},
-	Pages = {159--217},
-	Title = {Multielectron Bubbles in Helium as a Paradigm for Studying Electrons on Surfaces with Curvature},
-	Volume = {62},
-	Year = {2007},
+	author = {Tempere, J and Silvera, I and Devreese, J},
+	doi = {10.1016/j.surfrep.2007.03.001},
+	file = {/Users/loos/Zotero/storage/9EDTRQQ5/Tempere_2007.pdf},
+	issn = {01675729},
+	journal = {Surf. Sci. Rep.},
+	language = {en},
+	month = may,
+	number = {5},
+	pages = {159--217},
+	title = {Multielectron Bubbles in Helium as a Paradigm for Studying Electrons on Surfaces with Curvature},
+	volume = {62},
+	year = {2007},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1016/j.surfrep.2007.03.001}}
 
 @article{Holm_1998,
-	Author = {Holm, Bengt and {von Barth}, Ulf},
-	File = {/Users/loos/Zotero/storage/F8I9X5AH/Holm_1998.pdf},
-	Journal = {Phys. Rev. B},
-	Number = {4},
-	Pages = {2108},
-	Title = {Fully Self-Consistent {{GW}} Self-Energy of the Electron Gas},
-	Volume = {57},
-	Year = {1998}}
+	author = {Holm, Bengt and {von Barth}, Ulf},
+	file = {/Users/loos/Zotero/storage/F8I9X5AH/Holm_1998.pdf},
+	journal = {Phys. Rev. B},
+	number = {4},
+	pages = {2108},
+	title = {Fully Self-Consistent {{GW}} Self-Energy of the Electron Gas},
+	volume = {57},
+	year = {1998}}
 
 @article{Schindlmayr_1998,
-	Author = {Schindlmayr, Arno and Godby, Rex William},
-	File = {/Users/loos/Zotero/storage/S32MIQEF/Schindlmayr_1998b.pdf},
-	Journal = {Phys. Rev. Lett.},
-	Number = {8},
-	Pages = {1702},
-	Title = {Systematic Vertex Corrections through Iterative Solution of {{Hedin}}'s Equations beyond the {{GW}} Approximation},
-	Volume = {80},
-	Year = {1998}}
+	author = {Schindlmayr, Arno and Godby, Rex William},
+	file = {/Users/loos/Zotero/storage/S32MIQEF/Schindlmayr_1998b.pdf},
+	journal = {Phys. Rev. Lett.},
+	number = {8},
+	pages = {1702},
+	title = {Systematic Vertex Corrections through Iterative Solution of {{Hedin}}'s Equations beyond the {{GW}} Approximation},
+	volume = {80},
+	year = {1998}}
 
 @article{Schindlmayr_2013,
-	Author = {Schindlmayr, Arno},
-	Date-Modified = {2018-04-14 07:30:17 +0000},
-	Doi = {10.1103/PhysRevB.87.075104},
-	File = {/Users/loos/Zotero/storage/I77FWVP2/Schindlmayr_2013.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = feb,
-	Number = {7},
-	Pages = {075104},
-	Title = {Analytic Evaluation of the Electronic Self-Energy in the {{G W}} Approximation for Two Electrons on a Sphere},
-	Volume = {87},
-	Year = {2013},
+	author = {Schindlmayr, Arno},
+	date-modified = {2018-04-14 07:30:17 +0000},
+	doi = {10.1103/PhysRevB.87.075104},
+	file = {/Users/loos/Zotero/storage/I77FWVP2/Schindlmayr_2013.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = feb,
+	number = {7},
+	pages = {075104},
+	title = {Analytic Evaluation of the Electronic Self-Energy in the {{G W}} Approximation for Two Electrons on a Sphere},
+	volume = {87},
+	year = {2013},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.87.075104}}
 
 @article{Schirmer_1983,
-	Author = {Schirmer, J. and Cederbaum, L. S. and Walter, O.},
-	File = {/Users/loos/Zotero/storage/4JXGCNBC/Schirmer_1983.pdf},
-	Journal = {Phys. Rev. A},
-	Number = {3},
-	Pages = {1237},
-	Title = {New Approach to the One-Particle {{Green}}'s Function for Finite {{Fermi}} Systems},
-	Volume = {28},
-	Year = {1983}}
+	author = {Schirmer, J. and Cederbaum, L. S. and Walter, O.},
+	file = {/Users/loos/Zotero/storage/4JXGCNBC/Schirmer_1983.pdf},
+	journal = {Phys. Rev. A},
+	number = {3},
+	pages = {1237},
+	title = {New Approach to the One-Particle {{Green}}'s Function for Finite {{Fermi}} Systems},
+	volume = {28},
+	year = {1983}}
 
 @article{Schirmer_2004,
-	Author = {Schirmer, J. and Trofimov, A. B.},
-	Doi = {10.1063/1.1752875},
-	File = {/Users/loos/Zotero/storage/XFMF2EGK/Schirmer_2004.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = jun,
-	Number = {24},
-	Pages = {11449--11464},
-	Title = {Intermediate State Representation Approach to Physical Properties of Electronically Excited Molecules},
-	Volume = {120},
-	Year = {2004},
+	author = {Schirmer, J. and Trofimov, A. B.},
+	doi = {10.1063/1.1752875},
+	file = {/Users/loos/Zotero/storage/XFMF2EGK/Schirmer_2004.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = jun,
+	number = {24},
+	pages = {11449--11464},
+	title = {Intermediate State Representation Approach to Physical Properties of Electronically Excited Molecules},
+	volume = {120},
+	year = {2004},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.1752875}}
 
 @article{vanSetten_2015,
-	Author = {{van Setten}, Michiel J. and Caruso, Fabio and Sharifzadeh, Sahar and Ren, Xinguo and Scheffler, Matthias and Liu, Fang and Lischner, Johannes and Lin, Lin and Deslippe, Jack R. and Louie, Steven G. and Yang, Chao and Weigend, Florian and Neaton, Jeffrey B. and Evers, Ferdinand and Rinke, Patrick},
-	Date-Modified = {2020-02-05 21:02:17 +0100},
-	Doi = {10.1021/acs.jctc.5b00453},
-	File = {/Users/loos/Zotero/storage/4DNTPV2H/vanSetten_2015.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = dec,
-	Number = {12},
-	Pages = {5665--5687},
-	Shorttitle = {{{{\emph{GW}}}} 100},
-	Title = {{{{\emph{GW}}}} 100: {{Benchmarking}} {{{\emph{G}}}}{\textsubscript{0}}{{{\emph{W}}}}{\textsubscript{0}} for {{Molecular Systems}}},
-	Volume = {11},
-	Year = {2015},
+	author = {{van Setten}, Michiel J. and Caruso, Fabio and Sharifzadeh, Sahar and Ren, Xinguo and Scheffler, Matthias and Liu, Fang and Lischner, Johannes and Lin, Lin and Deslippe, Jack R. and Louie, Steven G. and Yang, Chao and Weigend, Florian and Neaton, Jeffrey B. and Evers, Ferdinand and Rinke, Patrick},
+	date-modified = {2020-02-05 21:02:17 +0100},
+	doi = {10.1021/acs.jctc.5b00453},
+	file = {/Users/loos/Zotero/storage/4DNTPV2H/vanSetten_2015.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = dec,
+	number = {12},
+	pages = {5665--5687},
+	shorttitle = {{{{\emph{GW}}}} 100},
+	title = {{{{\emph{GW}}}} 100: {{Benchmarking}} {{{\emph{G}}}}{\textsubscript{0}}{{{\emph{W}}}}{\textsubscript{0}} for {{Molecular Systems}}},
+	volume = {11},
+	year = {2015},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jctc.5b00453}}
 
 @article{Holleboom_1990,
-	Author = {Holleboom, L. J. and Snijders, J. G.},
-	Doi = {10.1063/1.459578},
-	File = {/Users/loos/Zotero/storage/N3LJNMRU/Holleboom_1990.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = oct,
-	Number = {8},
-	Pages = {5826--5837},
-	Title = {A Comparison between the {{Mo}}/Ller\textendash{}{{Plesset}} and {{Green}}'s Function Perturbative Approaches to the Calculation of the Correlation Energy in the Many-electron Problem},
-	Volume = {93},
-	Year = {1990},
+	author = {Holleboom, L. J. and Snijders, J. G.},
+	doi = {10.1063/1.459578},
+	file = {/Users/loos/Zotero/storage/N3LJNMRU/Holleboom_1990.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = oct,
+	number = {8},
+	pages = {5826--5837},
+	title = {A Comparison between the {{Mo}}/Ller\textendash{}{{Plesset}} and {{Green}}'s Function Perturbative Approaches to the Calculation of the Correlation Energy in the Many-electron Problem},
+	volume = {93},
+	year = {1990},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.459578}}
 
 @article{Stan_2006,
-	Author = {Stan, A and Dahlen, N. E and van Leeuwen, R.},
-	Doi = {10.1209/epl/i2006-10266-6},
-	File = {/Users/loos/Zotero/storage/A2TAP2VH/Stan_2006.pdf},
-	Issn = {0295-5075, 1286-4854},
-	Journal = {Europhys. Lett. EPL},
-	Month = oct,
-	Number = {2},
-	Pages = {298--304},
-	Title = {Fully Self-Consistent {{{\emph{GW}}}} Calculations for Atoms and Molecules},
-	Volume = {76},
-	Year = {2006},
+	author = {Stan, A and Dahlen, N. E and van Leeuwen, R.},
+	doi = {10.1209/epl/i2006-10266-6},
+	file = {/Users/loos/Zotero/storage/A2TAP2VH/Stan_2006.pdf},
+	issn = {0295-5075, 1286-4854},
+	journal = {Europhys. Lett. EPL},
+	month = oct,
+	number = {2},
+	pages = {298--304},
+	title = {Fully Self-Consistent {{{\emph{GW}}}} Calculations for Atoms and Molecules},
+	volume = {76},
+	year = {2006},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1209/epl/i2006-10266-6}}
 
 @article{Ren_2015,
-	Author = {Ren, Xinguo and Marom, Noa and Caruso, Fabio and Scheffler, Matthias and Rinke, Patrick},
-	Date-Modified = {2018-04-14 07:32:07 +0000},
-	Doi = {10.1103/PhysRevB.92.081104},
-	File = {/Users/loos/Zotero/storage/DK4SKK42/Ren_2015.pdf},
-	Issn = {1098-0121, 1550-235X},
-	Journal = {Phys. Rev. B},
-	Language = {en},
-	Month = aug,
-	Number = {8},
-	Pages = {081104},
-	Shorttitle = {Beyond the {{G W}} Approximation},
-	Title = {Beyond the {{G W}} Approximation: {{A}} Second-Order Screened Exchange Correction},
-	Volume = {92},
-	Year = {2015},
+	author = {Ren, Xinguo and Marom, Noa and Caruso, Fabio and Scheffler, Matthias and Rinke, Patrick},
+	date-modified = {2018-04-14 07:32:07 +0000},
+	doi = {10.1103/PhysRevB.92.081104},
+	file = {/Users/loos/Zotero/storage/DK4SKK42/Ren_2015.pdf},
+	issn = {1098-0121, 1550-235X},
+	journal = {Phys. Rev. B},
+	language = {en},
+	month = aug,
+	number = {8},
+	pages = {081104},
+	shorttitle = {Beyond the {{G W}} Approximation},
+	title = {Beyond the {{G W}} Approximation: {{A}} Second-Order Screened Exchange Correction},
+	volume = {92},
+	year = {2015},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevB.92.081104}}
 
 @article{Neuhauser_2014,
-	Author = {Neuhauser, Daniel and Gao, Yi and Arntsen, Christopher and Karshenas, Cyrus and Rabani, Eran and Baer, Roi},
-	Doi = {10.1103/PhysRevLett.113.076402},
-	File = {/Users/loos/Zotero/storage/BQNS7ZC3/Neuhauser_2014.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = aug,
-	Number = {7},
-	Shorttitle = {Breaking the {{Theoretical Scaling Limit}} for {{Predicting Quasiparticle Energies}}},
-	Title = {Breaking the {{Theoretical Scaling Limit}} for {{Predicting Quasiparticle Energies}}: {{The Stochastic G W Approach}}},
-	Volume = {113},
-	Year = {2014},
+	author = {Neuhauser, Daniel and Gao, Yi and Arntsen, Christopher and Karshenas, Cyrus and Rabani, Eran and Baer, Roi},
+	doi = {10.1103/PhysRevLett.113.076402},
+	file = {/Users/loos/Zotero/storage/BQNS7ZC3/Neuhauser_2014.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = aug,
+	number = {7},
+	shorttitle = {Breaking the {{Theoretical Scaling Limit}} for {{Predicting Quasiparticle Energies}}},
+	title = {Breaking the {{Theoretical Scaling Limit}} for {{Predicting Quasiparticle Energies}}: {{The Stochastic G W Approach}}},
+	volume = {113},
+	year = {2014},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.113.076402}}
 
 @article{Neuhauser_2017,
-	Author = {Neuhauser, Daniel and Baer, Roi and Zgid, Dominika},
-	Doi = {10.1021/acs.jctc.7b00792},
-	File = {/Users/loos/Zotero/storage/JAB74MSA/Neuhauser_2017.pdf},
-	Issn = {1549-9618, 1549-9626},
-	Journal = {J. Chem. Theory Comput.},
-	Language = {en},
-	Month = nov,
-	Number = {11},
-	Pages = {5396--5403},
-	Title = {Stochastic {{Self}}-{{Consistent Second}}-{{Order Green}}'s {{Function Method}} for {{Correlation Energies}} of {{Large Electronic Systems}}},
-	Volume = {13},
-	Year = {2017},
+	author = {Neuhauser, Daniel and Baer, Roi and Zgid, Dominika},
+	doi = {10.1021/acs.jctc.7b00792},
+	file = {/Users/loos/Zotero/storage/JAB74MSA/Neuhauser_2017.pdf},
+	issn = {1549-9618, 1549-9626},
+	journal = {J. Chem. Theory Comput.},
+	language = {en},
+	month = nov,
+	number = {11},
+	pages = {5396--5403},
+	title = {Stochastic {{Self}}-{{Consistent Second}}-{{Order Green}}'s {{Function Method}} for {{Correlation Energies}} of {{Large Electronic Systems}}},
+	volume = {13},
+	year = {2017},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1021/acs.jctc.7b00792}}
 
 @article{Ortiz_2013,
-	Author = {Ortiz, Joseph Vincent},
-	Doi = {10.1002/wcms.1116},
-	File = {/Users/loos/Zotero/storage/46YWTF9F/Ortiz_2013.pdf},
-	Issn = {17590876},
-	Journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
-	Language = {en},
-	Month = mar,
-	Number = {2},
-	Pages = {123--142},
-	Shorttitle = {Electron Propagator Theory},
-	Title = {Electron Propagator Theory: An Approach to Prediction and Interpretation in Quantum Chemistry: {{Electron}} Propagator Theory},
-	Volume = {3},
-	Year = {2013},
+	author = {Ortiz, Joseph Vincent},
+	doi = {10.1002/wcms.1116},
+	file = {/Users/loos/Zotero/storage/46YWTF9F/Ortiz_2013.pdf},
+	issn = {17590876},
+	journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
+	language = {en},
+	month = mar,
+	number = {2},
+	pages = {123--142},
+	shorttitle = {Electron Propagator Theory},
+	title = {Electron Propagator Theory: An Approach to Prediction and Interpretation in Quantum Chemistry: {{Electron}} Propagator Theory},
+	volume = {3},
+	year = {2013},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1002/wcms.1116}}
 
 @article{Pavlyukh_2016,
-	Author = {Pavlyukh, Y. and Uimonen, A.-M. and Stefanucci, G. and {van Leeuwen}, R.},
-	Doi = {10.1103/PhysRevLett.117.206402},
-	File = {/Users/loos/Zotero/storage/CB7B27J4/Pavlyukh_2006.pdf},
-	Issn = {0031-9007, 1079-7114},
-	Journal = {Phys. Rev. Lett.},
-	Language = {en},
-	Month = nov,
-	Number = {20},
-	Title = {Vertex {{Corrections}} for {{Positive}}-{{Definite Spectral Functions}} of {{Simple Metals}}},
-	Volume = {117},
-	Year = {2016},
+	author = {Pavlyukh, Y. and Uimonen, A.-M. and Stefanucci, G. and {van Leeuwen}, R.},
+	doi = {10.1103/PhysRevLett.117.206402},
+	file = {/Users/loos/Zotero/storage/CB7B27J4/Pavlyukh_2006.pdf},
+	issn = {0031-9007, 1079-7114},
+	journal = {Phys. Rev. Lett.},
+	language = {en},
+	month = nov,
+	number = {20},
+	title = {Vertex {{Corrections}} for {{Positive}}-{{Definite Spectral Functions}} of {{Simple Metals}}},
+	volume = {117},
+	year = {2016},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1103/PhysRevLett.117.206402}}
 
 @article{Pavosevic_2017,
-	Author = {Pavo{\v s}evi{\'c}, Fabijan and Peng, Chong and Ortiz, J. V. and Valeev, Edward F.},
-	Doi = {10.1063/1.5000916},
-	File = {/Users/loos/Zotero/storage/CPREHP25/Pavosevic_2017.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = sep,
-	Number = {12},
-	Pages = {121101},
-	Shorttitle = {Communication},
-	Title = {Communication: {{Explicitly}} Correlated Formalism for Second-Order Single-Particle {{Green}}'s Function},
-	Volume = {147},
-	Year = {2017},
+	author = {Pavo{\v s}evi{\'c}, Fabijan and Peng, Chong and Ortiz, J. V. and Valeev, Edward F.},
+	doi = {10.1063/1.5000916},
+	file = {/Users/loos/Zotero/storage/CPREHP25/Pavosevic_2017.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = sep,
+	number = {12},
+	pages = {121101},
+	shorttitle = {Communication},
+	title = {Communication: {{Explicitly}} Correlated Formalism for Second-Order Single-Particle {{Green}}'s Function},
+	volume = {147},
+	year = {2017},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.5000916}}
 
 @article{Peng_2013,
-	Author = {Peng, Degao and Steinmann, Stephan N. and {van Aggelen}, Helen and Yang, Weitao},
-	Doi = {10.1063/1.4820556},
-	File = {/Users/loos/Zotero/storage/2PKBAZ2I/Peng_2013.pdf},
-	Issn = {0021-9606, 1089-7690},
-	Journal = {J. Chem. Phys.},
-	Language = {en},
-	Month = sep,
-	Number = {10},
-	Pages = {104112},
-	Title = {Equivalence of Particle-Particle Random Phase Approximation Correlation Energy and Ladder-Coupled-Cluster Doubles},
-	Volume = {139},
-	Year = {2013},
+	author = {Peng, Degao and Steinmann, Stephan N. and {van Aggelen}, Helen and Yang, Weitao},
+	doi = {10.1063/1.4820556},
+	file = {/Users/loos/Zotero/storage/2PKBAZ2I/Peng_2013.pdf},
+	issn = {0021-9606, 1089-7690},
+	journal = {J. Chem. Phys.},
+	language = {en},
+	month = sep,
+	number = {10},
+	pages = {104112},
+	title = {Equivalence of Particle-Particle Random Phase Approximation Correlation Energy and Ladder-Coupled-Cluster Doubles},
+	volume = {139},
+	year = {2013},
 	Bdsk-Url-1 = {https://dx.doi.org/10.1063/1.4820556}}
 
 @article{Stan_2015,
-	Author = {Adrian Stan and Pina Romaniello and Santiago Rigamonti and Lucia Reining and J A Berger},
-	Date-Modified = {2018-07-05 09:39:07 +0000},
-	Doi = {10.1088/1367-2630/17/9/093045},
-	Journal = {New J. Phys.},
-	Number = {9},
-	Pages = {093045},
-	Title = {Unphysical and physical solutions in many-body theories: from weak to strong correlation},
-	Volume = {17},
-	Year = {2015},
+	author = {Adrian Stan and Pina Romaniello and Santiago Rigamonti and Lucia Reining and J A Berger},
+	date-modified = {2018-07-05 09:39:07 +0000},
+	doi = {10.1088/1367-2630/17/9/093045},
+	journal = {New J. Phys.},
+	number = {9},
+	pages = {093045},
+	title = {Unphysical and physical solutions in many-body theories: from weak to strong correlation},
+	volume = {17},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1088/1367-2630/17/9/093045}}
 
 @article{Tarantino_2018,
-	Author = {Walter Tarantino and Bernardo S Mendoza and Pina Romaniello and J A Berger and Lucia Reining},
-	Journal = {J. Phys.: Condensed Matter},
-	Number = {13},
-	Pages = {135602},
-	Title = {Many-body perturbation theory and non-perturbative approaches: screened interaction as the key ingredient},
-	Volume = {30},
-	Year = {2018}}
+	author = {Walter Tarantino and Bernardo S Mendoza and Pina Romaniello and J A Berger and Lucia Reining},
+	journal = {J. Phys.: Condensed Matter},
+	number = {13},
+	pages = {135602},
+	title = {Many-body perturbation theory and non-perturbative approaches: screened interaction as the key ingredient},
+	volume = {30},
+	year = {2018}}
 
 @article{Kozik_2014,
-	Author = {Kozik, Evgeny and Ferrero, Michel and Georges, Antoine},
-	Doi = {10.1103/PhysRevLett.114.156402},
-	Issue = {15},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Apr},
-	Numpages = {5},
-	Pages = {156402},
-	Publisher = {American Physical Society},
-	Title = {Nonexistence of the Luttinger-Ward Functional and Misleading Convergence of Skeleton Diagrammatic Series for Hubbard-Like Models},
-	Volume = {114},
-	Year = {2015},
+	author = {Kozik, Evgeny and Ferrero, Michel and Georges, Antoine},
+	doi = {10.1103/PhysRevLett.114.156402},
+	issue = {15},
+	journal = {Phys. Rev. Lett.},
+	month = {Apr},
+	numpages = {5},
+	pages = {156402},
+	publisher = {American Physical Society},
+	title = {Nonexistence of the Luttinger-Ward Functional and Misleading Convergence of Skeleton Diagrammatic Series for Hubbard-Like Models},
+	volume = {114},
+	year = {2015},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.114.156402}}
 
 @article{Schaefer_2013,
-	Author = {Sch\"afer, T. and Rohringer, G. and Gunnarsson, O. and Ciuchi, S. and Sangiovanni, G. and Toschi, A.},
-	Doi = {10.1103/PhysRevLett.110.246405},
-	Issue = {24},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Jun},
-	Numpages = {5},
-	Pages = {246405},
-	Publisher = {American Physical Society},
-	Title = {Divergent Precursors of the Mott-Hubbard Transition at the Two-Particle Level},
-	Volume = {110},
-	Year = {2013},
+	author = {Sch\"afer, T. and Rohringer, G. and Gunnarsson, O. and Ciuchi, S. and Sangiovanni, G. and Toschi, A.},
+	doi = {10.1103/PhysRevLett.110.246405},
+	issue = {24},
+	journal = {Phys. Rev. Lett.},
+	month = {Jun},
+	numpages = {5},
+	pages = {246405},
+	publisher = {American Physical Society},
+	title = {Divergent Precursors of the Mott-Hubbard Transition at the Two-Particle Level},
+	volume = {110},
+	year = {2013},
 	Bdsk-Url-1 = {https://doi.org/10.1103/PhysRevLett.110.246405}}
 
 @article{Schaefer_2016,
-	Author = {Sch\"afer, T. and Ciuchi, S. and Wallerberger, M. and Thunstr\"om, P. and Gunnarsson, O. and Sangiovanni, G. and Rohringer, G. and Toschi, A.},
-	Doi = {10.1103/PhysRevB.94.235108},
-	Issue = {23},
-	Journal = {Phys. Rev. B},
-	Month = {Dec},
-	Numpages = {25},
-	Pages = {235108},
-	Publisher = {American Physical Society},
-	Title = {Nonperturbative landscape of the Mott-Hubbard transition: Multiple divergence lines around the critical endpoint},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.94.235108},
-	Volume = {94},
-	Year = {2016},
+	author = {Sch\"afer, T. and Ciuchi, S. and Wallerberger, M. and Thunstr\"om, P. and Gunnarsson, O. and Sangiovanni, G. and Rohringer, G. and Toschi, A.},
+	doi = {10.1103/PhysRevB.94.235108},
+	issue = {23},
+	journal = {Phys. Rev. B},
+	month = {Dec},
+	numpages = {25},
+	pages = {235108},
+	publisher = {American Physical Society},
+	title = {Nonperturbative landscape of the Mott-Hubbard transition: Multiple divergence lines around the critical endpoint},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.94.235108},
+	volume = {94},
+	year = {2016},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.94.235108},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.94.235108}}
 
 @article{Rossi_2015,
-	Abstract = {Recently, Kozik, Ferrero and Georges discovered numerically that for a family of fundamental models of interacting fermions, the self-energy ##IMG## [http://ej.iop.org/images/1751-8121/48/48/485202/jpaaa05f8ieqn1.gif] {${\rm{\Sigma }}[G]$} is a multi-valued functional of the fully dressed single-particle propagator G , and that the skeleton diagrammatic series ##IMG## [http://ej.iop.org/images/1751-8121/48/48/485202/jpaaa05f8ieqn2.gif] {${{\rm{\Sigma }}}_{{\rm{bold}}}[G]$} converges to the wrong branch above a critical interaction strength. We consider the zero space-time dimensional case, where the same mathematical phenomena appear from elementary algebra. We also find a similar phenomenology for the fully bold formalism built on the fully dressed single-particle propagator and pair propagator.},
-	Author = {Riccardo Rossi and F{\'e}lix Werner},
-	Date-Modified = {2018-07-18 13:15:08 +0000},
-	Journal = {J. Phys. A: Math. Theor.},
-	Number = {48},
-	Pages = {485202},
-	Title = {Skeleton series and multivaluedness of the self-energy functional in zero space-time dimensions},
-	Url = {http://stacks.iop.org/1751-8121/48/i=48/a=485202},
-	Volume = {48},
-	Year = {2015},
+	abstract = {Recently, Kozik, Ferrero and Georges discovered numerically that for a family of fundamental models of interacting fermions, the self-energy ##IMG## [http://ej.iop.org/images/1751-8121/48/48/485202/jpaaa05f8ieqn1.gif] {${\rm{\Sigma }}[G]$} is a multi-valued functional of the fully dressed single-particle propagator G , and that the skeleton diagrammatic series ##IMG## [http://ej.iop.org/images/1751-8121/48/48/485202/jpaaa05f8ieqn2.gif] {${{\rm{\Sigma }}}_{{\rm{bold}}}[G]$} converges to the wrong branch above a critical interaction strength. We consider the zero space-time dimensional case, where the same mathematical phenomena appear from elementary algebra. We also find a similar phenomenology for the fully bold formalism built on the fully dressed single-particle propagator and pair propagator.},
+	author = {Riccardo Rossi and F{\'e}lix Werner},
+	date-modified = {2018-07-18 13:15:08 +0000},
+	journal = {J. Phys. A: Math. Theor.},
+	number = {48},
+	pages = {485202},
+	title = {Skeleton series and multivaluedness of the self-energy functional in zero space-time dimensions},
+	url = {http://stacks.iop.org/1751-8121/48/i=48/a=485202},
+	volume = {48},
+	year = {2015},
 	Bdsk-Url-1 = {http://stacks.iop.org/1751-8121/48/i=48/a=485202}}
 
 @article{Gunnarsson_2017,
-	Author = {Gunnarsson, O. and Rohringer, G. and Sch\"afer, T. and Sangiovanni, G. and Toschi, A.},
-	Doi = {10.1103/PhysRevLett.119.056402},
-	Issue = {5},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Aug},
-	Numpages = {5},
-	Pages = {056402},
-	Publisher = {American Physical Society},
-	Title = {Breakdown of Traditional Many-Body Theories for Correlated Electrons},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevLett.119.056402},
-	Volume = {119},
-	Year = {2017},
+	author = {Gunnarsson, O. and Rohringer, G. and Sch\"afer, T. and Sangiovanni, G. and Toschi, A.},
+	doi = {10.1103/PhysRevLett.119.056402},
+	issue = {5},
+	journal = {Phys. Rev. Lett.},
+	month = {Aug},
+	numpages = {5},
+	pages = {056402},
+	publisher = {American Physical Society},
+	title = {Breakdown of Traditional Many-Body Theories for Correlated Electrons},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.119.056402},
+	volume = {119},
+	year = {2017},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.119.056402},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.119.056402}}
 
 @article{Albrecht_1998,
-	Author = {Albrecht, Stefan and Reining, Lucia and Del Sole, Rodolfo and Onida, Giovanni},
-	Doi = {10.1103/PhysRevLett.80.4510},
-	Issue = {20},
-	Journal = {Phys. Rev. Lett.},
-	Month = {May},
-	Numpages = {0},
-	Pages = {4510--4513},
-	Publisher = {American Physical Society},
-	Title = {Ab Initio Calculation of Excitonic Effects in the Optical Spectra of Semiconductors},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevLett.80.4510},
-	Volume = {80},
-	Year = {1998},
+	author = {Albrecht, Stefan and Reining, Lucia and Del Sole, Rodolfo and Onida, Giovanni},
+	doi = {10.1103/PhysRevLett.80.4510},
+	issue = {20},
+	journal = {Phys. Rev. Lett.},
+	month = {May},
+	numpages = {0},
+	pages = {4510--4513},
+	publisher = {American Physical Society},
+	title = {Ab Initio Calculation of Excitonic Effects in the Optical Spectra of Semiconductors},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.80.4510},
+	volume = {80},
+	year = {1998},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.80.4510},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.80.4510}}
 
 @article{Rohlfing_1998,
-	Author = {Rohlfing, Michael and Louie, Steven G.},
-	Doi = {10.1103/PhysRevLett.81.2312},
-	Issue = {11},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Sep},
-	Numpages = {0},
-	Pages = {2312--2315},
-	Publisher = {American Physical Society},
-	Title = {Electron-Hole Excitations in Semiconductors and Insulators},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevLett.81.2312},
-	Volume = {81},
-	Year = {1998},
+	author = {Rohlfing, Michael and Louie, Steven G.},
+	doi = {10.1103/PhysRevLett.81.2312},
+	issue = {11},
+	journal = {Phys. Rev. Lett.},
+	month = {Sep},
+	numpages = {0},
+	pages = {2312--2315},
+	publisher = {American Physical Society},
+	title = {Electron-Hole Excitations in Semiconductors and Insulators},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.81.2312},
+	volume = {81},
+	year = {1998},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.81.2312},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.81.2312}}
 
 @article{vanderHorst_1999,
-	Author = {van der Horst, J.-W. and Bobbert, P. A. and Michels, M. A. J. and Brocks, G. and Kelly, P. J.},
-	Doi = {10.1103/PhysRevLett.83.4413},
-	Issue = {21},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Nov},
-	Numpages = {0},
-	Pages = {4413--4416},
-	Publisher = {American Physical Society},
-	Title = {Ab Initio Calculation of the Electronic and Optical Excitations in Polythiophene: Effects of Intra- and Interchain Screening},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevLett.83.4413},
-	Volume = {83},
-	Year = {1999},
+	author = {van der Horst, J.-W. and Bobbert, P. A. and Michels, M. A. J. and Brocks, G. and Kelly, P. J.},
+	doi = {10.1103/PhysRevLett.83.4413},
+	issue = {21},
+	journal = {Phys. Rev. Lett.},
+	month = {Nov},
+	numpages = {0},
+	pages = {4413--4416},
+	publisher = {American Physical Society},
+	title = {Ab Initio Calculation of the Electronic and Optical Excitations in Polythiophene: Effects of Intra- and Interchain Screening},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.83.4413},
+	volume = {83},
+	year = {1999},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.83.4413},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.83.4413}}
 
 @article{Pushchnig_2002,
-	Author = {Puschnig, Peter and Ambrosch-Draxl, Claudia},
-	Doi = {10.1103/PhysRevLett.89.056405},
-	Issue = {5},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Jul},
-	Numpages = {4},
-	Pages = {056405},
-	Publisher = {American Physical Society},
-	Title = {Suppression of Electron-Hole Correlations in 3D Polymer Materials},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevLett.89.056405},
-	Volume = {89},
-	Year = {2002},
+	author = {Puschnig, Peter and Ambrosch-Draxl, Claudia},
+	doi = {10.1103/PhysRevLett.89.056405},
+	issue = {5},
+	journal = {Phys. Rev. Lett.},
+	month = {Jul},
+	numpages = {4},
+	pages = {056405},
+	publisher = {American Physical Society},
+	title = {Suppression of Electron-Hole Correlations in 3D Polymer Materials},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.89.056405},
+	volume = {89},
+	year = {2002},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.89.056405},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.89.056405}}
 
 @article{Tiago_2003,
-	Author = {Tiago, Murilo L. and Northrup, John E. and Louie, Steven G.},
-	Date-Modified = {2020-02-05 20:45:49 +0100},
-	Doi = {10.1103/PhysRevB.67.115212},
-	Issue = {11},
-	Journal = {Phys. Rev. B},
-	Month = {Mar},
-	Numpages = {6},
-	Pages = {115212},
-	Publisher = {American Physical Society},
-	Title = {Ab Initio Calculation of the Electronic and Optical Properties of Solid Pentacene},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.67.115212},
-	Volume = {67},
-	Year = {2003},
+	author = {Tiago, Murilo L. and Northrup, John E. and Louie, Steven G.},
+	date-modified = {2020-02-05 20:45:49 +0100},
+	doi = {10.1103/PhysRevB.67.115212},
+	issue = {11},
+	journal = {Phys. Rev. B},
+	month = {Mar},
+	numpages = {6},
+	pages = {115212},
+	publisher = {American Physical Society},
+	title = {Ab Initio Calculation of the Electronic and Optical Properties of Solid Pentacene},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.67.115212},
+	volume = {67},
+	year = {2003},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.67.115212},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.67.115212}}
 
 @article{Tiago_2008,
-	Author = {Tiago, Murilo L. and Kent,P. R. C. and Hood,Randolph Q. and Reboredo,Fernando A.},
-	Date-Modified = {2020-01-07 22:20:12 +0100},
-	Doi = {10.1063/1.2973627},
-	Journal = {J. Chem. Phys.},
-	Number = {8},
-	Pages = {084311},
-	Title = {Neutral and charged excitations in carbon fullerenes from first-principles many-body theories},
-	Volume = {129},
-	Year = {2008},
+	author = {Tiago, Murilo L. and Kent,P. R. C. and Hood,Randolph Q. and Reboredo,Fernando A.},
+	date-modified = {2020-01-07 22:20:12 +0100},
+	doi = {10.1063/1.2973627},
+	journal = {J. Chem. Phys.},
+	number = {8},
+	pages = {084311},
+	title = {Neutral and charged excitations in carbon fullerenes from first-principles many-body theories},
+	volume = {129},
+	year = {2008},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.2973627}}
 
 @article{Sai_2008,
-	Author = {Sai, Na and Tiago, Murilo L. and Chelikowsky, James R. and Reboredo, Fernando A.},
-	Date-Modified = {2020-01-07 22:20:02 +0100},
-	Doi = {10.1103/PhysRevB.77.161306},
-	Issue = {16},
-	Journal = {Phys. Rev. B},
-	Month = {Apr},
-	Numpages = {4},
-	Pages = {161306},
-	Publisher = {American Physical Society},
-	Title = {Optical spectra and exchange-correlation effects in molecular crystals},
-	Volume = {77},
-	Year = {2008},
+	author = {Sai, Na and Tiago, Murilo L. and Chelikowsky, James R. and Reboredo, Fernando A.},
+	date-modified = {2020-01-07 22:20:02 +0100},
+	doi = {10.1103/PhysRevB.77.161306},
+	issue = {16},
+	journal = {Phys. Rev. B},
+	month = {Apr},
+	numpages = {4},
+	pages = {161306},
+	publisher = {American Physical Society},
+	title = {Optical spectra and exchange-correlation effects in molecular crystals},
+	volume = {77},
+	year = {2008},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.77.161306},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.77.161306}}
 
 @article{Palumno_2009,
-	Author = {Palummo,Maurizia and Hogan,Conor and Sottile,Francesco and Bagal\'{a},Paolo and Rubio,Angel},
-	Date-Modified = {2020-02-05 20:46:22 +0100},
-	Doi = {10.1063/1.3204938},
-	Journal = {J. Chem. Phys.},
-	Number = {8},
-	Pages = {084102},
-	Title = {Ab Initio Electronic and Optical Spectra of Free-Base Porphyrins: The Role of Electronic Correlation},
-	Volume = {131},
-	Year = {2009},
+	author = {Palummo,Maurizia and Hogan,Conor and Sottile,Francesco and Bagal\'{a},Paolo and Rubio,Angel},
+	date-modified = {2020-02-05 20:46:22 +0100},
+	doi = {10.1063/1.3204938},
+	journal = {J. Chem. Phys.},
+	number = {8},
+	pages = {084102},
+	title = {Ab Initio Electronic and Optical Spectra of Free-Base Porphyrins: The Role of Electronic Correlation},
+	volume = {131},
+	year = {2009},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3204938}}
 
 @article{Rocca_2010,
-	Author = {Rocca,Dario and Lu,Deyu and Galli,Giulia},
-	Date-Modified = {2020-02-05 20:46:55 +0100},
-	Doi = {10.1063/1.3494540},
-	Journal = {J. Chem. Phys.},
-	Number = {16},
-	Pages = {164109},
-	Title = {Ab Initio Calculations of Optical Absorption Spectra: Solution of the Bethe--Salpeter Equation Within Density Matrix Perturbation Theory},
-	Volume = {133},
-	Year = {2010},
+	author = {Rocca,Dario and Lu,Deyu and Galli,Giulia},
+	date-modified = {2020-02-05 20:46:55 +0100},
+	doi = {10.1063/1.3494540},
+	journal = {J. Chem. Phys.},
+	number = {16},
+	pages = {164109},
+	title = {Ab Initio Calculations of Optical Absorption Spectra: Solution of the Bethe--Salpeter Equation Within Density Matrix Perturbation Theory},
+	volume = {133},
+	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.3494540}}
 
 @article{Sharifzadeh_2012,
-	Author = {Sharifzadeh, Sahar and Biller, Ariel and Kronik, Leeor and Neaton, Jeffrey B.},
-	Date-Modified = {2020-02-05 20:47:34 +0100},
-	Doi = {10.1103/PhysRevB.85.125307},
-	Issue = {12},
-	Journal = {Phys. Rev. B},
-	Month = {Mar},
-	Numpages = {11},
-	Pages = {125307},
-	Publisher = {American Physical Society},
-	Title = {Quasiparticle and Optical Spectroscopy of the Organic Semiconductors Pentacene and PTCDA From First Principles},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.85.125307},
-	Volume = {85},
-	Year = {2012},
+	author = {Sharifzadeh, Sahar and Biller, Ariel and Kronik, Leeor and Neaton, Jeffrey B.},
+	date-modified = {2020-02-05 20:47:34 +0100},
+	doi = {10.1103/PhysRevB.85.125307},
+	issue = {12},
+	journal = {Phys. Rev. B},
+	month = {Mar},
+	numpages = {11},
+	pages = {125307},
+	publisher = {American Physical Society},
+	title = {Quasiparticle and Optical Spectroscopy of the Organic Semiconductors Pentacene and PTCDA From First Principles},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.85.125307},
+	volume = {85},
+	year = {2012},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.85.125307},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.85.125307}}
 
 @article{Cudazzo_2012,
-	Author = {Cudazzo, Pierluigi and Gatti, Matteo and Rubio, Angel},
-	Date-Modified = {2020-02-05 20:47:56 +0100},
-	Doi = {10.1103/PhysRevB.86.195307},
-	Issue = {19},
-	Journal = {Phys. Rev. B},
-	Month = {Nov},
-	Numpages = {8},
-	Pages = {195307},
-	Publisher = {American Physical Society},
-	Title = {Excitons in Molecular Crystals From First-Principles Many-Body Perturbation Theory: Picene Versus Pentacene},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.86.195307},
-	Volume = {86},
-	Year = {2012},
+	author = {Cudazzo, Pierluigi and Gatti, Matteo and Rubio, Angel},
+	date-modified = {2020-02-05 20:47:56 +0100},
+	doi = {10.1103/PhysRevB.86.195307},
+	issue = {19},
+	journal = {Phys. Rev. B},
+	month = {Nov},
+	numpages = {8},
+	pages = {195307},
+	publisher = {American Physical Society},
+	title = {Excitons in Molecular Crystals From First-Principles Many-Body Perturbation Theory: Picene Versus Pentacene},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.86.195307},
+	volume = {86},
+	year = {2012},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.86.195307},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.86.195307}}
 
 @article{Hirose_2015,
-	Author = {Hirose, Daichi and Noguchi, Yoshifumi and Sugino, Osamu},
-	Date-Modified = {2020-02-05 20:49:27 +0100},
-	Doi = {10.1103/PhysRevB.91.205111},
-	Issue = {20},
-	Journal = {Phys. Rev. B},
-	Month = {May},
-	Numpages = {8},
-	Pages = {205111},
-	Publisher = {American Physical Society},
-	Title = {All-Electron GW+Bethe-Salpeter Calculations on Small Molecules},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.91.205111},
-	Volume = {91},
-	Year = {2015},
+	author = {Hirose, Daichi and Noguchi, Yoshifumi and Sugino, Osamu},
+	date-modified = {2020-02-05 20:49:27 +0100},
+	doi = {10.1103/PhysRevB.91.205111},
+	issue = {20},
+	journal = {Phys. Rev. B},
+	month = {May},
+	numpages = {8},
+	pages = {205111},
+	publisher = {American Physical Society},
+	title = {All-Electron GW+Bethe-Salpeter Calculations on Small Molecules},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.91.205111},
+	volume = {91},
+	year = {2015},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.91.205111},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.91.205111}}
 
 @article{Ziaei_2017,
-	Author = {Ziaei, Vafa and Bredow, Thomas},
-	Date-Modified = {2020-01-07 22:23:38 +0100},
-	Doi = {10.1103/PhysRevB.96.195115},
-	Issue = {19},
-	Journal = {Phys. Rev. B},
-	Month = {Nov},
-	Numpages = {7},
-	Pages = {195115},
-	Publisher = {American Physical Society},
-	Title = {Simple many-body based screening mixing ansatz for improvement of $GW$/Bethe-Salpeter equation excitation energies of molecular systems},
-	Volume = {96},
-	Year = {2017},
+	author = {Ziaei, Vafa and Bredow, Thomas},
+	date-modified = {2020-01-07 22:23:38 +0100},
+	doi = {10.1103/PhysRevB.96.195115},
+	issue = {19},
+	journal = {Phys. Rev. B},
+	month = {Nov},
+	numpages = {7},
+	pages = {195115},
+	publisher = {American Physical Society},
+	title = {Simple many-body based screening mixing ansatz for improvement of $GW$/Bethe-Salpeter equation excitation energies of molecular systems},
+	volume = {96},
+	year = {2017},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.96.195115},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.96.195115}}
 
 @article{Cocchi_2015,
-	Author = {Cocchi, Caterina and Draxl, Claudia},
-	Date-Modified = {2020-02-05 20:49:54 +0100},
-	Doi = {10.1103/PhysRevB.92.205105},
-	Issue = {20},
-	Journal = {Phys. Rev. B},
-	Month = {Nov},
-	Numpages = {7},
-	Pages = {205105},
-	Publisher = {American Physical Society},
-	Title = {Bound Excitons and Many-Body Effects in X-Ray Absorption Spectra of Azobenzene-Functionalized Self-Assembled Monolayers},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.92.205105},
-	Volume = {92},
-	Year = {2015},
+	author = {Cocchi, Caterina and Draxl, Claudia},
+	date-modified = {2020-02-05 20:49:54 +0100},
+	doi = {10.1103/PhysRevB.92.205105},
+	issue = {20},
+	journal = {Phys. Rev. B},
+	month = {Nov},
+	numpages = {7},
+	pages = {205105},
+	publisher = {American Physical Society},
+	title = {Bound Excitons and Many-Body Effects in X-Ray Absorption Spectra of Azobenzene-Functionalized Self-Assembled Monolayers},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.92.205105},
+	volume = {92},
+	year = {2015},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.92.205105},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.92.205105}}
 
 @article{Abramson_2017,
-	Author = {Refaely-Abramson, Sivan and da Jornada, Felipe H. and Louie, Steven G. and Neaton, Jeffrey B.},
-	Doi = {10.1103/PhysRevLett.119.267401},
-	Issue = {26},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Dec},
-	Numpages = {6},
-	Pages = {267401},
-	Publisher = {American Physical Society},
-	Title = {Origins of Singlet Fission in Solid Pentacene from an ab initio Green's Function Approach},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevLett.119.267401},
-	Volume = {119},
-	Year = {2017},
+	author = {Refaely-Abramson, Sivan and da Jornada, Felipe H. and Louie, Steven G. and Neaton, Jeffrey B.},
+	doi = {10.1103/PhysRevLett.119.267401},
+	issue = {26},
+	journal = {Phys. Rev. Lett.},
+	month = {Dec},
+	numpages = {6},
+	pages = {267401},
+	publisher = {American Physical Society},
+	title = {Origins of Singlet Fission in Solid Pentacene from an ab initio Green's Function Approach},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.119.267401},
+	volume = {119},
+	year = {2017},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.119.267401},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.119.267401}}
 
 @article{Lastra_2011,
-	Author = {Garcia-Lastra, J. M. and Thygesen, K. S.},
-	Date-Modified = {2020-02-05 20:51:55 +0100},
-	Doi = {10.1103/PhysRevLett.106.187402},
-	Issue = {18},
-	Journal = {Phys. Rev. Lett.},
-	Month = {May},
-	Numpages = {4},
-	Pages = {187402},
-	Publisher = {American Physical Society},
-	Title = {Renormalization of Optical Excitations in Molecules Near a Metal Surface},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevLett.106.187402},
-	Volume = {106},
-	Year = {2011},
+	author = {Garcia-Lastra, J. M. and Thygesen, K. S.},
+	date-modified = {2020-02-05 20:51:55 +0100},
+	doi = {10.1103/PhysRevLett.106.187402},
+	issue = {18},
+	journal = {Phys. Rev. Lett.},
+	month = {May},
+	numpages = {4},
+	pages = {187402},
+	publisher = {American Physical Society},
+	title = {Renormalization of Optical Excitations in Molecules Near a Metal Surface},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.106.187402},
+	volume = {106},
+	year = {2011},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.106.187402},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.106.187402}}
 
 @article{Baumeier_2012b,
-	Author = {Baumeier, Bj\"{o}rn and Andrienko, Denis and Ma, Yuchen and Rohlfing, Michael},
-	Date-Modified = {2020-05-20 22:02:44 +0200},
-	Doi = {10.1021/ct2008999},
-	Journal = {J. Chem. Theory Comput.},
-	Pages = {997--1002},
-	Title = {Excited States of Dicyanovinyl-Substituted Oligothiophenes from Many-Body Green's Functions Theory},
-	Volume = {8},
-	Year = {2012},
+	author = {Baumeier, Bj\"{o}rn and Andrienko, Denis and Ma, Yuchen and Rohlfing, Michael},
+	date-modified = {2020-05-20 22:02:44 +0200},
+	doi = {10.1021/ct2008999},
+	journal = {J. Chem. Theory Comput.},
+	pages = {997--1002},
+	title = {Excited States of Dicyanovinyl-Substituted Oligothiophenes from Many-Body Green's Functions Theory},
+	volume = {8},
+	year = {2012},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct300311x}}
 
 @article{Duchemin_2012,
-	Author = {Duchemin, I. and Deutsch, T. and Blase, X.},
-	Doi = {10.1103/PhysRevLett.109.167801},
-	Issue = {16},
-	Journal = {Phys. Rev. Lett.},
-	Month = {Oct},
-	Numpages = {6},
-	Pages = {167801},
-	Publisher = {American Physical Society},
-	Title = {Short-Range to Long-Range Charge-Transfer Excitations in the Zincbacteriochlorin-Bacteriochlorin Complex: A Bethe-Salpeter Study},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevLett.109.167801},
-	Volume = {109},
-	Year = {2012},
+	author = {Duchemin, I. and Deutsch, T. and Blase, X.},
+	doi = {10.1103/PhysRevLett.109.167801},
+	issue = {16},
+	journal = {Phys. Rev. Lett.},
+	month = {Oct},
+	numpages = {6},
+	pages = {167801},
+	publisher = {American Physical Society},
+	title = {Short-Range to Long-Range Charge-Transfer Excitations in the Zincbacteriochlorin-Bacteriochlorin Complex: A Bethe-Salpeter Study},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.109.167801},
+	volume = {109},
+	year = {2012},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.109.167801},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.109.167801}}
 
 @article{Rangel_2016,
-	Author = {Rangel, Tonatiuh and Hamed, Samia M. and Bruneval, Fabien and Neaton, Jeffrey B.},
-	Date-Modified = {2020-01-07 22:25:49 +0100},
-	Doi = {10.1021/acs.jctc.6b00163},
-	Journal = {J. Chem. Theory Comput.},
-	Number = {6},
-	Pages = {2834-2842},
-	Title = {Evaluating the GW Approximation with CCSD(T) for Charged Excitations Across the Oligoacenes},
-	Volume = {12},
-	Year = {2016},
+	author = {Rangel, Tonatiuh and Hamed, Samia M. and Bruneval, Fabien and Neaton, Jeffrey B.},
+	date-modified = {2020-01-07 22:25:49 +0100},
+	doi = {10.1021/acs.jctc.6b00163},
+	journal = {J. Chem. Theory Comput.},
+	number = {6},
+	pages = {2834-2842},
+	title = {Evaluating the GW Approximation with CCSD(T) for Charged Excitations Across the Oligoacenes},
+	volume = {12},
+	year = {2016},
 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.6b00163}}
 
 @article{Faber_2015,
-	Author = {Faber, C. and Boulanger, P. and Attaccalite, C. and Cannuccia, E. and Duchemin, I. and Deutsch, T. and Blase, X.},
-	Date-Modified = {2020-02-05 20:55:58 +0100},
-	Doi = {10.1103/PhysRevB.91.155109},
-	Issue = {15},
-	Journal = {Phys. Rev. B},
-	Month = {Apr},
-	Numpages = {9},
-	Pages = {155109},
-	Publisher = {American Physical Society},
-	Title = {Exploring Approximations to the $GW$ Self-Energy Ionic Gradients},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.91.155109},
-	Volume = {91},
-	Year = {2015},
+	author = {Faber, C. and Boulanger, P. and Attaccalite, C. and Cannuccia, E. and Duchemin, I. and Deutsch, T. and Blase, X.},
+	date-modified = {2020-02-05 20:55:58 +0100},
+	doi = {10.1103/PhysRevB.91.155109},
+	issue = {15},
+	journal = {Phys. Rev. B},
+	month = {Apr},
+	numpages = {9},
+	pages = {155109},
+	publisher = {American Physical Society},
+	title = {Exploring Approximations to the $GW$ Self-Energy Ionic Gradients},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.91.155109},
+	volume = {91},
+	year = {2015},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.91.155109},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.91.155109}}
 
 @article{Montserrat_2016,
-	Author = {Monserrat, Bartomeu},
-	Date-Modified = {2020-02-05 20:56:28 +0100},
-	Doi = {10.1103/PhysRevB.93.100301},
-	Issue = {10},
-	Journal = {Phys. Rev. B},
-	Month = {Mar},
-	Numpages = {6},
-	Pages = {100301},
-	Publisher = {American Physical Society},
-	Title = {Correlation Effects on Electron-Phonon Coupling in Semiconductors: Many-Body Theory Along Thermal Lines},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.93.100301},
-	Volume = {93},
-	Year = {2016},
+	author = {Monserrat, Bartomeu},
+	date-modified = {2020-02-05 20:56:28 +0100},
+	doi = {10.1103/PhysRevB.93.100301},
+	issue = {10},
+	journal = {Phys. Rev. B},
+	month = {Mar},
+	numpages = {6},
+	pages = {100301},
+	publisher = {American Physical Society},
+	title = {Correlation Effects on Electron-Phonon Coupling in Semiconductors: Many-Body Theory Along Thermal Lines},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.93.100301},
+	volume = {93},
+	year = {2016},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.93.100301},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.93.100301}}
 
 @article{Zhenglu_2019,
-	Author = {Li, Zhenglu and Antonius, Gabriel and Wu, Meng and da Jornada, Felipe H. and Louie, Steven G.},
-	Doi = {10.1103/PhysRevLett.122.186402},
-	Issue = {18},
-	Journal = {Phys. Rev. Lett.},
-	Month = {May},
-	Numpages = {6},
-	Pages = {186402},
-	Publisher = {American Physical Society},
-	Title = {Electron-Phonon Coupling from Ab Initio Linear-Response Theory within the $GW$ Method: Correlation-Enhanced Interactions and Superconductivity in ${\mathrm{Ba}}_{1\ensuremath{-}x}{\mathrm{K}}_{x}{\mathrm{BiO}}_{3}$},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevLett.122.186402},
-	Volume = {122},
-	Year = {2019},
+	author = {Li, Zhenglu and Antonius, Gabriel and Wu, Meng and da Jornada, Felipe H. and Louie, Steven G.},
+	doi = {10.1103/PhysRevLett.122.186402},
+	issue = {18},
+	journal = {Phys. Rev. Lett.},
+	month = {May},
+	numpages = {6},
+	pages = {186402},
+	publisher = {American Physical Society},
+	title = {Electron-Phonon Coupling from Ab Initio Linear-Response Theory within the $GW$ Method: Correlation-Enhanced Interactions and Superconductivity in ${\mathrm{Ba}}_{1\ensuremath{-}x}{\mathrm{K}}_{x}{\mathrm{BiO}}_{3}$},
+	url = {https://link.aps.org/doi/10.1103/PhysRevLett.122.186402},
+	volume = {122},
+	year = {2019},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.122.186402},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.122.186402}}
 
 @article{Maggio_2016,
-	Author = {Maggio, Emanuele and Kresse, Georg},
-	Doi = {10.1103/PhysRevB.93.235113},
-	Issue = {23},
-	Journal = {Phys. Rev. B},
-	Month = {Jun},
-	Numpages = {12},
-	Pages = {235113},
-	Publisher = {American Physical Society},
-	Title = {Correlation energy for the homogeneous electron gas: Exact Bethe-Salpeter solution and an approximate evaluation},
-	Url = {https://link.aps.org/doi/10.1103/PhysRevB.93.235113},
-	Volume = {93},
-	Year = {2016},
+	author = {Maggio, Emanuele and Kresse, Georg},
+	doi = {10.1103/PhysRevB.93.235113},
+	issue = {23},
+	journal = {Phys. Rev. B},
+	month = {Jun},
+	numpages = {12},
+	pages = {235113},
+	publisher = {American Physical Society},
+	title = {Correlation energy for the homogeneous electron gas: Exact Bethe-Salpeter solution and an approximate evaluation},
+	url = {https://link.aps.org/doi/10.1103/PhysRevB.93.235113},
+	volume = {93},
+	year = {2016},
 	Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.93.235113},
 	Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.93.235113}}
diff --git a/Manuscript/QUEST_WIREs.tex b/Manuscript/QUEST_WIREs.tex
index 32aa91b..946473f 100644
--- a/Manuscript/QUEST_WIREs.tex
+++ b/Manuscript/QUEST_WIREs.tex
@@ -15,7 +15,7 @@
 % \documentclass[blind,alpha-refs]{wiley-article}
 
 % Add additional packages here if required
-\usepackage{graphicx,dcolumn,bm,xcolor,microtype,multirow,amscd,amsmath,amssymb,amsfonts,physics,longtable,mhchem,siunitx,rotating}
+\usepackage{graphicx,dcolumn,bm,xcolor,microtype,multirow,amscd,amsmath,amssymb,amsfonts,physics,longtable,mhchem,siunitx,rotating,threeparttable,threeparttablex}
 
 \usepackage[
 	colorlinks=true,
@@ -57,8 +57,8 @@
 \author[1]{Michel Caffarel}
 \author[2]{Filippo Lipparini}
 \author[1]{Martial Boggio-Pasqua}
-\author[1]{Pierre-Fran\c{c}ois Loos}
 \author[3]{Denis Jacquemin}
+\author[1]{Pierre-Fran\c{c}ois Loos}
 
 %\contrib[\authfn{1}]{Equally contributing authors.}
 
@@ -67,8 +67,8 @@
 \affil[2]{Dipartimento di Chimica e Chimica Industriale, University of Pisa, Via Moruzzi 3, 56124 Pisa, Italy}
 \affil[3]{Universit\'e de Nantes, CNRS,  CEISAM UMR 6230, F-44000 Nantes, France}
 
-\corraddress{Pierre-Fran\c{c}ois Loos, Laboratoire de Chimie et Physique Quantiques, Universit\'e de Toulouse, CNRS, UPS, France}
-\corremail{loos@irsamc-ups-tlse.fr}
+\corraddress{Denis Jacquemin and Pierre-Fran\c{c}ois Loos}
+\corremail{denis.jacquemin@univ-nantes.fr; loos@irsamc-ups-tlse.fr}
 
 %\presentadd[\authfn{2}]{Department, Institution, City, State or Province, Postal Code, Country}
 
@@ -83,14 +83,15 @@
 
 \begin{abstract}
 We describe our efforts of the past few years to create a large set of more than \alert{470} highly-accurate vertical excitation energies of various natures ($\pi \to \pis$, $n \to \pis$, double excitation, Rydberg, singlet, doublet, triplet, etc) for small- and medium-sized molecules.
-These values have been obtained using a combination of high-order coupled cluster and selected configuration interaction calculations using increasingly large diffuse basis sets.
-One of the key aspect of the so-called QUEST dataset of vertical excitations is that it does not rely on any experimental values, avoiding potential biases inherently linked to experiments and facilitating in the process theoretical cross comparisons.
-Following this composite protocol, we have been able to produce theoretical best estimate (TBEs) with the aug-cc-pVTZ basis set, as well as basis set corrected TBEs (i.e., near the complete basis set limit) for each of these transitions.
-These TBEs have been employed to benchmark a large number of (lower-order) wave function methods such as CIS(D), ADC(2), STEOM-CCSD, EOM-CCSD, CCSDR(3), CCSDT-3, ADC(3), CC3, CASPT2,  NEVPT2, and others.
+These values have been obtained using an incremental strategy which consists in combining high-order coupled cluster and selected configuration interaction calculations using increasingly large diffuse basis sets in order to reach high accuracy.
+One of the key aspect of the so-called QUEST database of vertical excitations is that it does not rely on any experimental values, avoiding potential biases inherently linked to experiments and facilitating  theoretical cross comparison processes
+Following a composite protocol, we have been able to produce theoretical best estimate (TBEs) with the aug-cc-pVTZ basis set, as well as basis set corrected TBEs (i.e., near the complete basis set limit) for each of these transitions.
+These TBEs have been employed to benchmark a large number of (lower-order) wave function methods such as CIS(D), ADC(2), STEOM-CCSD, CCSD, CCSDR(3), CCSDT-3, ADC(3), CC3,  NEVPT2, and others.
 In order to gather the huge number of data produced during the QUEST project, we have created a website where one can easily test and compare the accuracy of a given method with respect to various variables such as the molecule size or its family, the nature of the excited states, the size of the basis set, etc.
+%Add website address here
 We hope that the present review will provide a useful summary of our work so far and foster new developments around excited-state methods.
 % Please include a maximum of seven keywords
-\keywords{Excited states, full configuration interaction, excitation energies}
+\keywords{Excited states, full configuration interaction, coupled-cluster excitation energies}
 \end{abstract}
 
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%
@@ -100,14 +101,14 @@ We hope that the present review will provide a useful summary of our work so far
 
 Nowadays, there exists a very large number of electronic structure computational approaches, more or less expensive depending on their overall accuracy, able to quantitatively predict the absolute and/or relative energies of electronic states in molecular systems \cite{SzaboBook,JensenBook,CramerBook,HelgakerBook}.
 One important aspect of some of these theoretical methods is their ability to access the energies of electronic excited states, i.e., states that have higher total energies than the so-called ground (that is, lowest-energy) state.
-The faithful description of excited states is particularly challenging from a theoretical point of view \cite{Piecuch_2002,Dreuw_2005,Krylov_2006,Gonzales_2012,Ghosh_2018,Blase_2020,Loos_2020a,Eriksen_2021} and is key to a deeper understanding of photochemical and photophysical processes like absorption, fluorescence, or even chemoluminescence \cite{Bernardi_1996,Olivucci_2010,Robb_2007,Navizet_2011}.
+The faithful description of excited states is particularly challenging from a theoretical point of view \cite{Roos_1996,Piecuch_2002,Dreuw_2005,Krylov_2006,Sneskov_2012,Gonzales_2012,Laurent_2013,Adamo_2013,Ghosh_2018,Blase_2020,Loos_2020a} and is key to a deeper understanding of photochemical and photophysical processes like absorption, fluorescence, phosphorescence or even chemoluminescence \cite{Bernardi_1996,Olivucci_2010,Robb_2007,Navizet_2011}.
 For a given level of theory, ground-state methods are usually more accurate than their excited-state analogs.
-The reasons behind this are (at least) threefold: i) one might lack a proper variational principle for excited-state energies and one may have to rely on response theory formalisms which inherently introduce a ground-state ``bias'', iii) accurately modeling the electronic structure of excited states usually requires larger one-electron basis sets (including diffuse functions most of the times) than their ground-state counterpart, and iii) excited states can be governed by different amounts of dynamic/static correlations, have very different physical natures ($\pi \to \pis$, $n \to \pis$, charge transfer, double excitation, valence, Rydberg, singlet, doublet, triplet, etc), yet been very close in energy from each other. 
+The reasons behind this are (at least) threefold: i) one might lack a proper variational principle for excited-state energies and one may have to rely on response theory formalisms which inherently introduce a ground-state ``bias'', iii) accurately modeling the electronic structure of excited states usually requires larger one-electron basis sets (including diffuse functions most of the times) than their ground-state counterpart, and iii) excited states can be governed by different amounts of dynamic/static correlations, present very different physical natures ($\pi \to \pis$, $n \to \pis$, charge transfer, double excitation, valence, Rydberg, singlet, doublet, triplet, etc), yet be very close in energy from one  another. 
 Hence, designing excited-state methods able to tackle simultaneously and on an equal footing all these types of excited states at an affordable cost remain an open challenge in theoretical computational chemistry \cite{Piecuch_2002,Dreuw_2005,Krylov_2006,Gonzales_2012,Ghosh_2018,Blase_2020,Loos_2020a,Eriksen_2021}.
 
-When one designs a new theoretical model, the first feature that one might want to test is its overall accuracy, i.e., its ability to reproduce reference (or benchmark) values for a given system with well-defined setup (same geometry, basis set, etc). 
-These values can be absolute or relative energies, geometrical parameters, physical or chemical properties extracted from experiments, high-level theoretical calculations, or a combination of both. 
-To do so, the electronic structure community has designed along the years benchmark sets, i.e., sets of molecules for which one could (very) accurately compute theoretical estimates and/or access solid experimental data for given properties.
+When designing a new theoretical model, the first feature that one might want to test is its overall accuracy, i.e., its ability to reproduce reference (or benchmark) values for a given system with well-defined setup (same geometry, basis set, etc). 
+These values can be absolute or relative energies, geometrical parameters, physical or chemical spectroscopic properties extracted from experiments, high-level theoretical calculations, or any combination of these. 
+To this end, the electronic structure community has designed along the years benchmark sets, i.e., sets of molecules for which one could (very) accurately compute theoretical estimates and/or access solid experimental data for given properties.
 Regarding ground-states properties, two of the oldest and most employed sets are probably the Gaussian-1 and Gaussian-2 benchmark sets \cite{Pople_1989,Curtiss_1991,Curtiss_1997} developed by the group of Pople in the 1990's. 
 For example, the Gaussian-2 set gathers atomization energies, ionization energies, electron affinities, proton affinities, bond dissociation energies, and reaction barriers.
 This set was subsequently extended and refined \cite{Curtiss_1998,Curtiss_2007}. 
@@ -115,15 +116,15 @@ Another very useful set for the design of methods able to catch dispersion effec
 One could also mentioned the $GW$100 set \cite{vanSetten_2015,Krause_2015,Maggio_2016} (and its $GW$5000 extension \cite{Stuke_2020}) of ionization energies which has helped enormously the community to settle on the implementation of $GW$-type methods for molecular systems \cite{vanSetten_2013,Bruneval_2016,Caruso_2016,Govoni_2018}.
 The extrapolated ab initio thermochemistry (HEAT) set designed to achieve high accuracy for enthalpies of formation of atoms and small molecules (without experimental data) is yet another successful example of benchmark set \cite{Tajti_2004,Bomble_2006,Harding_2008}.
 More recently, the benchmark datasets provided by the \textit{Simons Collaboration on the Many-Electron Problem} have been extremely valuable to the community by providing, for example, highly-accurate ground state energies for hydrogen chains \cite{Motta_2017} as well as transition metal atoms and their ions and monoxides \cite{Williams_2020}.
-Let us also mention the set of Zhao and Truhlar for small transition metal complexes employed to compare the accuracy density-functional methods \cite{ParrBook} for $3d$ transition-metal chemistry \cite{Zhao_2006}.
+Let us also mention the set of Zhao and Truhlar for small transition metal complexes employed to compare the accuracy density-functional methods \cite{ParrBook} for $3d$ transition-metal chemistry \cite{Zhao_2006}, and finally the popular GMTKN24 \cite{Goerigk_2010}, GMTKN30 \cite{Goerigk_2011a,Goerigk_2011b} and GMTKN55 \cite{Goerigk_2017} databases for general main group thermochemistry, kinetics, and non-covalent interactions developed by Goerigk, Grimme and coworkers.
 
-The examples of benchmark sets presented above are all designed for ground-state properties, and there now exists specific protocols taylored to accurately model excited-state energies and properties.
-Benchmark datasets of excited-state energies and/or properties are less numerous than their ground-state counterparts but their number have been growing at a consistent pace in the past few years. 
+The examples of benchmark sets presented above are all designed for ground-state properties, and there  exists specific protocols taylored to accurately model excited-state energies and properties as well.
+Indeed, benchmark datasets of excited-state energies and/or properties are less numerous than their ground-state counterparts but their number have been growing at a consistent pace in the past few years. 
 Below, we provide a short description for some of them.
-One of the most characteristic example is the benchmark set of vertical excitations proposed by Thiel and coworkers \cite{Schreiber_2008,Silva-Junior_2008,Silva-Junior_2010,Silva-Junior_2010b,Silva-Junior_2010c}.
-The so-called Thiel (or M\"ulheim) set of excitation energies gathers a large number of excitation energies determined in 28 medium-size organic molecules with a total of 223 valence excited states (152 singlet and 71 triplet states) for which theoretical best estimates (TBEs) were defined. 
-In their first study, Thiel and collaborators performed CC2 \cite{Christiansen_1995a,Hattig_2000}, EOM-CCSD \cite{Rowe_1968,Koch_1990,Stanton_1993,Koch_1994}, CC3 \cite{Christiansen_1995b,Koch_1997}, and CASPT2 \cite{Andersson_1990,Andersson_1992,Roos,Roos_1996} calculations (with the TZVP basis) on MP2/6-31G(d) geometries in order to provide (based on additional high-quality literature data) TBEs for these transitions.
-These TBEs were quickly refined with the larger aug-cc-pVTZ basis set, highlighting the importance of diffuse functions in the faithful description of excited states (especially for Rydberg states) \cite{Silva-Junior_2010b,Silva-Junior_2010c}.
+One of the most characteristic example is the benchmark set of vertical excitation energies proposed by Thiel and coworkers \cite{Schreiber_2008,Silva-Junior_2008,Silva-Junior_2010,Silva-Junior_2010b,Silva-Junior_2010c}.
+The so-called Thiel (or M\"ulheim) set of excitation energies gathers a large number of excitation energies determined in 28 medium-size organic CNOH molecules with a total of 223 valence excited states (152 singlet and 71 triplet states) for which theoretical best estimates (TBEs) were defined. 
+In their first study, Thiel and collaborators performed CC2 \cite{Christiansen_1995a,Hattig_2000}, CCSD \cite{Rowe_1968,Koch_1990,Stanton_1993,Koch_1994}, CC3 \cite{Christiansen_1995b,Koch_1997}, and CASPT2 \cite{Andersson_1990,Andersson_1992,Roos,Roos_1996} calculations (with the TZVP basis) on MP2/6-31G(d) geometries in order to provide (based on additional high-quality literature data) TBEs for these transitions.
+These TBEs were quickly refined with the larger aug-cc-pVTZ basis set \cite{Silva-Junior_2010b,Silva-Junior_2010c}.
 In the same spirit, it is also worth mentioning Gordon's set of vertical transitions (based on experimental values) \cite{Leang_2012} used to benchmark the performance of time-dependent density-functional theory (TD-DFT) \cite{Runge_1984,Casida_1995,Casida_2012,Ulrich_2012}, as well as its extended version by Goerigk and coworkers who decided to replace the experimental reference values by CC3 excitation energies instead \cite{Schwabe_2017,Casanova-Paez_2019,Casanova_Paes_2020}.
 Let us also mention the new benchmark set of charge-transfer excited states recently introduced by Szalay and coworkers [based on equation-of-motion coupled cluster (EOM-CC) methods] \cite{Kozma_2020} as well as the Gagliardi-Truhlar set employed to compare the accuracy of multiconfiguration pair-density functional theory \cite{Ghosh_2018} against the well-established CASPT2 method \cite{Hoyer_2016}.
 
@@ -143,8 +144,8 @@ We refer the interested reader to Ref.~\cite{Loos_2019b} where we review the gen
 	\label{fig:scheme}
 \end{figure}
 
-The QUEST dataset has the particularity to be based in a large proportion on selected configuration interaction (SCI) reference excitation energies as well as high-order equation-of-motion (EOM) CC methods such as EOM-CCSDT and EOM-CCSDTQ \cite{Hirata_2000}.
-Recently, SCI methods have been a force to reckon with for the computation of highly-accurate energies in small- and medium-sized molecules as they yield near full configuration interaction (FCI) quality energies for only a fraction of the computational cost of a genuine FCI calculation \cite{Booth_2009,Booth_2010,Cleland_2010,Booth_2011,Daday_2012,Blunt_2015,Ghanem_2019,Deustua_2017,Deustua_2018,Holmes_2017,Chien_2018,Li_2018,Yao_2020,Li_2020,Eriksen_2017,Eriksen_2018,Eriksen_2019a,Eriksen_2019b,Xu_2018,Xu_2020,Loos_2018a,Loos_2019,Loos_2020b,Loos_2020c,Loos_2020a,Loos_2020e}.
+The QUEST dataset has the particularity to be based in a large proportion on selected configuration interaction (SCI) reference excitation energies as well as high-order linear-response (LR) CC methods such as LR-CCSDT and LR-CCSDTQ \cite{Noga_1987,Koch_1990,Kucharski_1991,Christiansen_1998b,Kucharski_2001,Kowalski_2001,Kallay_2003,Kallay_2004,Hirata_2000,Hirata_2004}.
+Recently, SCI methods have been a force to reckon with for the computation of highly-accurate energies in small- and medium-sized molecules as they yield near full configuration interaction (FCI) quality energies for only a fraction of the computational cost of a genuine FCI calculation \cite{Booth_2009,Booth_2010,Cleland_2010,Booth_2011,Daday_2012,Blunt_2015,Ghanem_2019,Deustua_2017,Deustua_2018,Holmes_2017,Chien_2018,Li_2018,Yao_2020,Li_2020,Eriksen_2017,Eriksen_2018,Eriksen_2019a,Eriksen_2019b,Xu_2018,Xu_2020,Loos_2018a,Loos_2019,Loos_2020b,Loos_2020c,Loos_2020a,Loos_2020e,Eriksen_2021}.
 Due to the fairly natural idea underlying these methods, the SCI family is composed by numerous members \cite{Bender_1969,Whitten_1969,Huron_1973,Abrams_2005,Bunge_2006,Bytautas_2009,Giner_2013,Caffarel_2014,Giner_2015,Garniron_2017b,Caffarel_2016a,Caffarel_2016b,Holmes_2016,Sharma_2017,Holmes_2017,Chien_2018,Scemama_2018,Scemama_2018b,Garniron_2018,Evangelista_2014,Schriber_2016,Schriber_2017,Liu_2016,Per_2017,Ohtsuka_2017,Zimmerman_2017,Li_2018,Ohtsuka_2017,Coe_2018,Loos_2019}. 
 Their fundamental philosophy consists, roughly speaking, in retaining only the most energetically relevant determinants of the FCI space following a given criterion to slow down the exponential increase of the size of the CI expansion.
 Originally developed in the late 1960's by Bender and Davidson \cite{Bender_1969} as well as Whitten and Hackmeyer \cite{Whitten_1969}, new efficient SCI algorithms have resurfaced recently. 
@@ -173,7 +174,7 @@ Finally, we draw our conclusions in Sec.~\ref{sec:ccl} where we discuss, in part
 %=======================
 \subsection{Geometries}
 %=======================
-The molecules included in the QUEST dataset have been systematically optimized at the CC3/aug-cc-pVTZ level of theory, except for a very few cases.
+The GS structures of the molecules included in the QUEST dataset have been systematically optimized at the CC3/aug-cc-pVTZ level of theory, except for a very few cases.
 As shown in Refs.~\cite{Hattig_2005c,Budzak_2017}, CC3 provides extremely accurate ground- and excited-state geometries.
 These optimizations have been performed using DALTON 2017 \cite{dalton} and CFOUR 2.1 \cite{cfour} applying default parameters. 
 For the open-shell derivatives beloging to QUEST\#4 \cite{Loos_2020c}, the geometries are optimized at the UCCSD(T)/aug-cc-pVTZ level using the GAUSSIAN16 program \cite{Gaussian16} and applying the ``tight'' convergence threshold. 
@@ -185,7 +186,7 @@ For the purpose of the present review article, we have gathered all the geometri
 %=======================
 For the entire set, we rely on the 6-31+G(d) Pople basis set \cite{Binkley_1977a,Clark_1983a,Dill_1975a,Ditchfield_1971a,Francl_1982a,Gordon_1982a,Hehre_1972a}, the augmented family of Dunning basis sets aug-cc-pVXZ (where X $=$ D, T, Q, and 5) \cite{Dunning_1989a,Kendall_1992a,Prascher_2011a,Woon_1993a,Woon_1994a}, and sometimes its doubly- and triply-augmented variants, d-aug-cc-pVXZ and t-aug-cc-pVXZ respectively.
 Doubly- and triply-augmented basis sets are usually employed for Rydberg states where it is not uncommon to observe a strong basis set dependence due to the very diffuse nature of these excited states.
-These basis sets have been downloaded from the \href{https://www.basissetexchange.org}{basis set exchange} website \cite{Feller_1996a,Pritchard_2019a,Schuchardt_2007a}.
+These basis sets are available from the \href{https://www.basissetexchange.org}{basis set exchange} website \cite{Feller_1996a,Pritchard_2019a,Schuchardt_2007a}.
 
 %==================================
 \subsection{Computational methods}
@@ -195,16 +196,16 @@ These basis sets have been downloaded from the \href{https://www.basissetexchang
 \subsubsection{Reference computational methods}
 %------------------------------------------------
 In order to compute reference vertical energies, we have designed different strategies depending on the actual nature of the transition and the size of the system.
-For small molecules (typically 1--3 non-hydrogen atoms), we resort to SCI methods which can provide near-FCI excitation energies for compact basis sets.
+For small molecules (typically 1--3 non-hydrogen atoms), we mainly resort to SCI methods which can provide near-FCI excitation energies for compact basis sets.
 Obviously, the smaller the molecule, the larger the basis we can afford.
-For larger systems (\ie, 4--6 non-hydrogen atom), one cannot afford SCI calculations anymore expect in a few exceptions, and we then rely on EOM-CC theory (EOM-CCSDT and EOM-CCSDTQ typically \cite{Hirata_2000}) to obtain accurate transition energies.
-In the following, we will omit the prefix EOM for the sake of clarity.
+For larger systems (\ie, 4--6 non-hydrogen atom), one cannot afford SCI calculations anymore expect in a few exceptions, and we then rely on LR-CC theory (LR-CCSDT and LR-CCSDTQ typically \cite{Kucharski_1991,Kallay_2003,Kallay_2004,Hirata_2000,Hirata_2004}) to obtain accurate transition energies.
+In the following, we will omit the prefix LR for the sake of clarity, as equivalent values would be obtained with the equation-of-motion (EOM) formalism.
 
 The CC calculations are performed with several codes. 
 For closed-shell molecules, CC3 \cite{Christiansen_1995b,Koch_1997} calculations are achieved with DALTON \cite{dalton} and CFOUR \cite{cfour}.  
-CCSDT calculations are performed with CFOUR \cite{cfour} and MRCC 2017 \cite{Rolik_2013,mrcc}, the latter code being also used for CCSDTQ and CCSDTQP.
+CCSDT and CCSDTQ calculations are performed with CFOUR \cite{cfour} and MRCC 2017 \cite{Rolik_2013,mrcc}, the latter code being also used for  CCSDTQP.
 %Note that all our excited-state CC calculations are performed within the equation-of-motion (EOM) or linear-response (LR) formalism that yield the same excited-state energies. 
-The reported oscillator strengths have been computed in the linear-response (LR) CC3 formalism only. 
+The reported oscillator strengths have been computed in the LR-CC3 formalism only. 
 For open-shell molecules, the CCSDT, CCSDTQ, and CCSDTQP calculations performed with MRCC \cite{Rolik_2013,mrcc} do consider an unrestricted Hartree-Fock wave function as reference. 
 All excited-state calculations are performed, except when explicitly mentioned, in the frozen-core (FC) approximation using large cores for the third-row atoms. 
 
@@ -248,7 +249,8 @@ For the STEOM-CCSD calculations, it was checked that the active character percen
 For radicals, we applied both the U (unrestricted) and RO (restricted open-shell) versions of CCSD and CC3 as implemented in the PSI4 code \cite{Psi4} to perform our benchmarks.
 Finally, the composite approach, ADC(2.5), which follows the spirit of Grimme's and Hobza's MP2.5 approach \cite{Pitonak_2009} by averaging the ADC(2) and ADC(3) excitation energies, is also tested in the following \cite{Loos_2020d}.
 
-State-averaged (SA) CASSCF and CASPT2 \cite{Roos,Andersson_1990} have been performed with MOLPRO (RS2 contraction level) \cite{molpro}.
+For the double excitations composing the QUEST database, we have performed additional calculations using various multiconfigurational methods.
+In particular, state-averaged (SA) CASSCF and CASPT2 \cite{Roos,Andersson_1990} have been performed with MOLPRO (RS2 contraction level) \cite{molpro}.
 Concerning the NEVPT2 calculations (which are also performed with MOLPRO), the partially-contracted (PC) and strongly-contracted (SC) variants have been tested \cite{Angeli_2001a,Angeli_2001b,Angeli_2002}. 
 From a strict theoretical point of view, we point out that PC-NEVPT2 is supposed to be more accurate than SC-NEVPT2 given that it has a larger number of perturbers and greater flexibility.  
 In the case of double excitations \cite{Loos_2019}, we have also performed calculations with multi-state (MS) CASPT2 (MS-MR formalism), \cite{Finley_1998} and its extended variant (XMS-CASPT2) \cite{Shiozaki_2011} when there is a strong mixing between states with same spin and spatial symmetries.
@@ -288,13 +290,16 @@ which evidences that the error in $\Delta E_{\text{FCI}}^{(m)}$ can be expressed
 Moreover, using a common set of state-averaged natural orbitals for the ground and excited states tends to make the values of $\alpha^{(0)}$ and $\alpha^{(m)}$ very close to each other, such that the error on the energy difference is practically of the order of $E_{\text{rPT2}}^2$. 
 
 At the $n$th CIPSI iteration, we have access to the variational energies of both states, $E_\text{var}^{(0)}(n)$ and $E_\text{var}^{(m)}(n)$, as well as their rPT2 corrections, $E_{\text{rPT2}}^{(0)}(n)$ and $E_{\text{rPT2}}^{(m)}(n)$.
-The $m$th excitation energy at iteration $n$ is then assumed to be a Gaussian random variable with mean and variance 
-\begin{gather}
+The $m$th excitation energy at iteration $n$ is then assumed to be a Gaussian random variable with mean 
+\begin{equation}
   \Delta E_\text{CIPSI}^{(m)}(n) = \qty[ E_\text{var}^{(m)}(n) + E_{\text{rPT2}}^{(m)}(n) ] - \qty[ E_\text{var}^{(0)}(n) + E_{\text{rPT2}}^{(0)}(n) ]
-  \\
+\end{equation}
+and variance 
+\begin{equation}
   \sigma^2(n) \propto \qty[E_{\text{rPT2}}^{(m)}(n)]^2 + \qty[E_{\text{rPT2}}^{(0)}(n)]^2
-\end{gather}
+\end{equation}
 and we treat all CIPSI iterations as a set of Gaussian-distributed variables ($\mathcal{G}$) with weights $w(n) = 1/\sqrt{\sigma^2(n)}$.
+This choice ensures that the statistical uncertainty vanishes at the FCI limit.
 We then search for a confidence interval $\mathcal{I}$ such that the true value of the excitation energy $\Delta E_{\text{FCI}}^{(m)}$ lies within one standard deviation of $\Delta E_\text{CIPSI}^{(m)}$, i.e., $P( \Delta E_{\text{FCI}}^{(m)} \in [ \Delta E_\text{CIPSI}^{(m)} \pm \sigma ] \; | \; \mathcal{G}) = 0.6827$. 
 The probability that $\Delta E_{\text{FCI}}^{(m)}$ is in an interval $\mathcal{I}$ is
 \begin{equation}
@@ -311,19 +316,20 @@ The inverse of the cumulative distribution function of the $t$-distribution, $t_
    \beta = t_{\text{CDF}}^{-1} \qty[ 
    \frac{1}{2} \qty( 1 + \frac{0.6827}{P(\mathcal{G})}), M ]
 \end{equation}
-such that $P( \Delta E_{\text{FCI}}^{(m)} \in [ \Delta E_{\text{CIPSI}}^{(m)} \pm \beta \sigma ] ) = p$.
+such that $P( \Delta E_{\text{FCI}}^{(m)} \in [ \Delta E_{\text{CIPSI}}^{(m)} \pm \beta \sigma ] ) = p = 0.6827$.
 Only the last $M>2$ computed energy differences are considered. $M$ is chosen such that $P(\mathcal{G})>0.8$ and such that the error bar is minimal.
 If all the values of $P(\mathcal{G})$ are below $0.8$, $M$ is chosen such that $P(\mathcal{G})$ is maximal.
 A Python code associated with this procedure is provided in the {\SupInf}.
 
 The singlet and triplet FCI/6-31+G(d) excitation energies and their corresponding error bars estimated with the method presented above based on Gaussian random variables are reported in Table \ref{tab:cycles}.
 For the sake of comparison, we also report the CC3 and CCSDT vertical energies from Ref.~\cite{Loos_2020b} computed in the same basis.
+%DJ: discuter en 1 ligne de la diff CC3/CCSDT ? Ce ne sont pas des �tats "durs" � avoir ?
 The estimated values of the excitation energies obtained via a three-point linear extrapolation considering the three largest CIPSI wave functions are also gathered in Table \ref{tab:cycles}.
 In this case, the error bar is estimated via the extrapolation distance, \ie, the difference in excitation energies obtained with the three-point linear extrapolation and the largest CIPSI wave function.
 This strategy has been considered in some of our previous works \cite{Loos_2020b,Loos_2020c,Loos_2020e}.
 The deviation from the CCSDT excitation energies for the same set of excitations are depicted in Fig.~\ref{fig:errors}, where the red dots correspond to the excitation energies and error bars estimated via the present method, and the blue dots correspond to the excitation energies obtained via a three-point linear fit and error bars estimated via the extrapolation distance.
 These results contains a good balance between well-behaved and ill-behaved cases.
-For example, cyclopentadiene and furan correspond to well-behaved scenarios where the two flavor of excitation energy estimates are nearly identical and the error bars associated with these two methods nicely overlap.
+For example, cyclopentadiene and furan correspond to well-behaved scenarios where the two flavors of the extrapolations for the excitation energy yield nearly identical estimates and the error bars associated with these two methods nicely overlap.
 In these cases, one can observe that our method based on Gaussian random variables provides almost systematically smaller error bars. 
 Even in less idealistic situations (like in imidazole, pyrrole, and thiophene), the results are very satisfactory and stable.
 The six-membered rings represent much more challenging cases for SCI methods, and even for these systems the newly-developed method provides realistic error bars, and allows to easily detect problematic events (like pyridine for instance).
@@ -334,13 +340,13 @@ A selection of these results can be found in the {\SupInf}.
 %%% TABLE I %%%
 \begin{table}
 \centering
-\caption{Singlet and triplet excitation energies (in eV) obtained at the CC3, CCSDT, and FCI levels of theory with the 6-31+G* basis set for various five- and six-membered rings.
+\caption{Singlet and triplet excitation energies (in eV) obtained at the CC3, CCSDT, and CIPSI levels of theory with the 6-31+G(d) basis set for various five- and six-membered rings.
 The error bars reported in parenthesis correspond to one standard deviation.}
 \label{tab:cycles}
 \begin{threeparttable}
 \begin{tabular}{lccccc}
 \headrow
-\thead{Molecule} 	& \thead{Transition} 				& \thead{CC3}	& \thead{CCSDT} & \thead{FCI$^a$}	& \thead{FCI$^b$}\\
+\thead{Molecule} 	& \thead{Transition} 				& \thead{CC3}	& \thead{CCSDT} & \thead{CIPSI (Gaussian)$^a$}	& \thead{CIPSI (3-point)$^b$}\\
 					\mc{6}{c}{Five-membered rings}	\\
 Cyclopentadiene		&	$^1 B_2 (\pi \ra \pis)$			&	5.79	&	5.80	&	5.80(2)	&	5.79(2)		\\
 					&	$^3 B_2 (\pi \ra \pis)$			&	3.33	&	3.33	&	3.32(4)	&	3.29(7)		\\
@@ -373,7 +379,7 @@ Triazine			&	$^1A_1''(n \ra \pis)$			&	4.85	&	4.84	&	4.77(13)&	5.12(51)	\\
 \hline  % Please only put a hline at the end of the table
 \end{tabular}
 \begin{tablenotes}
-\item $^a$ Excitation energies and error bars estimated via the present method (see Sec.~\ref{sec:error}).
+\item $^a$ Excitation energies and error bars estimated via the present method based on Gaussian random variables (see Sec.~\ref{sec:error}).
 \item $^b$ Excitation energies obtained via a three-point linear fit using the three largest CIPSI variational wave functions, and error bars estimated via the extrapolation distance, \ie, the difference in excitation energies obtained with the three-point linear extrapolation and the largest CIPSI wave function.
 \end{tablenotes}
 \end{threeparttable}
@@ -382,8 +388,8 @@ Triazine			&	$^1A_1''(n \ra \pis)$			&	4.85	&	4.84	&	4.77(13)&	5.12(51)	\\
 %%% FIGURE 2 %%%
 \begin{figure}
 	\centering
-	\includegraphics[width=\linewidth]{errors}
-	\caption{Deviation from the CCSDT excitation energies for singlet and triplet excitation energies (in eV) of five- and six-membered rings obtained at the FCI/6-31+G* level of theory. Red dots: excitation energies and error bars estimated via the present method (see Sec.~\ref{sec:error}). Blue dots: excitation energies obtained via a three-point linear fit using the three largest CIPSI wave functions, and error bars estimated via the extrapolation distance, \ie, the difference in excitation energies obtained with the three-point linear extrapolation and the largest CIPSI wave function.
+	\includegraphics[width=\linewidth]{fig2}
+	\caption{Deviation from the CCSDT excitation energies for the lowest singlet and triplet excitation energies (in eV) of five- and six-membered rings obtained at the CIPSI/6-31+G(d) level of theory. Red dots: excitation energies and error bars estimated via the present method (see Sec.~\ref{sec:error}). Blue dots: excitation energies obtained via a three-point linear fit using the three largest CIPSI wave functions, and error bars estimated via the extrapolation distance, \ie, the difference in excitation energies obtained with the three-point linear extrapolation and the largest CIPSI wave function.
 	The error bars corresponds to one standard deviation.}
 	\label{fig:errors}
 \end{figure}
@@ -397,13 +403,14 @@ Triazine			&	$^1A_1''(n \ra \pis)$			&	4.85	&	4.84	&	4.77(13)&	5.12(51)	\\
 \subsection{Overview}
 %=======================
 The QUEST database gathers more than \alert{470} highly-accurate excitation energies of various natures (valence, Rydberg, $n \ra \pis$, $\pi \ra \pis$, singlet, doublet, triplet, and double excitations) for molecules ranging from diatomics to molecules as large as naphthalene (see Fig.~\ref{fig:molecules}).
+This set is also diverse chemically, with organic and inorganic systems, open and closed shell systems, acyclic and cyclic systems, pure hydrocarbons and various heteroatoms, etc.
 Each of the five subsets making up the QUEST dataset is detailed below.
 Throughout the present article, we report several statistical indicators: the mean signed error (MSE), mean absolute error (MAE), root-mean square error (RMSE), and standard deviation of the errors (SDE).
 
-%%% FIGURE 2 %%%
+%%% FIGURE 3 %%%
 \begin{figure}
 	\centering
-	\includegraphics[width=\linewidth]{fig2}
+	\includegraphics[width=\linewidth]{fig3}
 	\caption{Molecules each of the five subsets making up the present QUEST dataset of highly-accurate vertical excitation energies: 
 	QUEST\#1 (red), QUEST\#2 (magenta and/or underlined), QUEST\#3 (black), QUEST\#4 (green), and QUEST\#5 (blue).}
 	\label{fig:molecules}
@@ -414,7 +421,7 @@ Throughout the present article, we report several statistical indicators: the me
 %=======================
 The QUEST\#1 benchmark set \cite{Loos_2018a} consists of 110 vertical excitation energies (as well as oscillator strengths) from 18 molecules with sizes ranging from one to three non-hydrogen atoms (water, hydrogen sulfide, ammonia, hydrogen chloride, dinitrogen, carbon monoxide, acetylene, ethylene, formaldehyde, methanimine, thioformaldehyde, acetaldehyde, cyclopropene, diazomethane, formamide, ketene, nitrosomethane, and the smallest
 streptocyanine). For this set, we provided two sets of TBEs: i) one obtained within the frozen-core approximation and the aug-cc-pVTZ basis set, and ii) another one including further corrections for basis set incompleteness and ``all electron'' effects.
-For the former set, we systematically employed FCI/aug-cc-pVTZ values to define our TBEs except in very few cases.
+For the former set, we systematically employed FCI/aug-cc-pVTZ values to define our TBEs but for a few cases.
 For the latter set, both the ``all electron'' correlation and the basis set corrections were systematically obtained at the CC3 level of theory and with the d-aug-cc-pV5Z basis for the nine smallest molecules, and slightly more compact basis sets for the larger compounds.
 Our TBE/aug-cc-pVTZ reference excitation energies were employed to benchmark a series of popular excited-state wave function methods partially or fully accounting for double and triple excitations, namely CIS(D), CC2, CCSD, STEOM-CCSD, CCSDR(3), CCSDT-3, CC3, ADC(2), and ADC(3). 
 Our main conclusions were that i) ADC(2) and CC2 show strong similarities in terms of accuracy, ii) STEOM-CCSD is, on average, as accurate as CCSD, the latter overestimating transition energies, iii) CC3 is extremely accurate (with a mean absolute error of only $\sim 0.03$ eV) and that although slightly less accurate than CC3, CCSDT-3 could be used as a reliable reference for benchmark studies, and iv) ADC(3) was found to be significantly less accurate than CC3 by overcorrecting ADC(2) excitation energies.
@@ -427,7 +434,7 @@ This set gathers 20 vertical transitions from 14 small- and medium-size molecule
 The TBEs of the QUEST\#2 set are obtained with SCI and/or multiconfigurational [CASSCF, CASPT2, (X)MS-CASPT2, and NEVPT2] calculations depending on the size of the molecules and the level of theory that we could afford.
 An important addition to this second study was the inclusion of various flavors of multiconfigurational methods (CASSCF, CASPT2, and NEVPT2) in addition to high-order CC methods including, at least, perturbative triples (CC3, CCSDT, CCSDTQ, etc).
 Our results demonstrated that the error of CC methods is intimately linked to the amount of double-excitation character in the vertical transition. 
-For ``pure'' double excitations (i.e., for transitions which do not mix with single excitations), the error in CC3 and CCSDT can easily reach $1$ and $0.5$ eV, respectively, while it goes down to a few tenths of an eV for more common transitions (such as in butadiene and benzene) involving a significant amount of single excitations.
+For ``pure'' double excitations (i.e., for transitions which do not mix with single excitations), the error in CC3 and CCSDT can easily reach $1$ and $0.5$ eV, respectively, while it goes down to a few tenths of an eV for more common transitions involving a significant amount of single excitations  (such as in butadiene and benzene) .
 The quality of the excitation energies obtained with CASPT2 and NEVPT2 was harder to predict as the overall accuracy of these methods is highly dependent on both the system and the selected active space. 
 Nevertheless, these two methods were found to be more accurate for transition with a small percentage of single excitations (error usually below $0.1$ eV) than for excitations dominated by single excitations where the error is closer from $0.1$--$0.2$ eV 
 
@@ -435,7 +442,7 @@ Nevertheless, these two methods were found to be more accurate for transition wi
 \subsection{QUEST\#3}
 %=======================
 The QUEST\#3 benchmark set \cite{Loos_2020b} is, by far, our largest set, and consists of highly accurate vertical transition energies and oscillator strengths obtained for 27 molecules encompassing 4, 5, and 6 non-hydrogen atoms (acetone, acrolein, benzene, butadiene, cyanoacetylene, cyanoformaldehyde, cyanogen, cyclopentadiene, cyclopropenone, cyclopropenethione, diacetylene, furan, glyoxal, imidazole, isobutene, methylenecyclopropene, propynal, pyrazine, pyridazine, pyridine, pyrimidine, pyrrole, tetrazine, thioacetone, thiophene, thiopropynal, and triazine) for a total of 238 vertical transition energies and 90 oscillator strengths with a reasonably good balance between singlet, triplet, valence, and Rydberg excited states. 
-For these 238 transitions, we have estimated that 224 are chemically accurate for the considered geometry.
+For these 238 transitions, we have estimated that 224 are chemically accurate for the aug-cc-pVTZ basis and for the considered geometry.
 To define the TBEs of the QUEST\#3 set, we employed CC methods up to the highest technically possible order (CC3, CCSDT, and CCSDTQ), and, when affordable SCI calculations with very large reference spaces (up to hundred million determinants in certain cases), as well as the most reliable multiconfigurational method, NEVPT2, for double excitations.
 Most of our TBEs are based on CCSDTQ (4 non-hydrogen atoms) or CCSDT (5 and 6 non-hydrogen atoms) excitation energies.
 For all the transitions of the QUEST\#3 set, we reported at least CCSDT/aug-cc-pVTZ (sometimes with basis set extrapolation) and CC3/aug-cc-pVQZ transition energies as well as CC3/aug-cc-pVTZ oscillator strengths for each dipole-allowed transition. 
@@ -449,10 +456,10 @@ This was further demonstrated in a recent study by two of the present authors \c
 The QUEST\#4 benchmark set \cite{Loos_2020c} consists of two subsets of excitations and oscillator strengths.
 An ``exotic'' subset of 30 excited states for closed-shell molecules containing F, Cl, P, and Si atoms (carbonyl fluoride, \ce{CCl2}, \ce{CClF}, \ce{CF2}, difluorodiazirine, formyl fluoride, \ce{HCCl}, \ce{HCF}, \ce{HCP}, \ce{HPO}, \ce{HPS}, \ce{HSiF}, \ce{SiCl2}, and silylidene) and a ``radical'' subset of 51 doublet-doublet transitions in small radicals (allyl, \ce{BeF}, \ce{BeH}, \ce{BH2}, \ce{CH}, \ce{CH3}, \ce{CN}, \ce{CNO}, \ce{CON}, \ce{CO+}, \ce{F2BO}, \ce{F2BS}, \ce{H2BO}, \ce{HCO}, \ce{HOC}, \ce{H2PO}, \ce{H2PS}, \ce{NCO}, \ce{NH2}, nitromethyl, \ce{NO}, \ce{OH}, \ce{PH2}, and vinyl) characterized by open-shell electronic configurations and an unpaired electron.
 This represents a total of 81 high-quality TBEs, the vast majority being obtained at the FCI level with at least the aug-cc-pVTZ basis set. 
-We further performed high-order CC calculations to ascertain these estimates. 
+We additionnaly performed high-order CC calculations to ascertain these estimates. 
 For the exotic set, these TBEs have been used to assess the performances of 15 ``lower-order'' wave function approaches, including several CC and ADC variants. 
-Consistent with our previous works, we found that CC3 is very accurate, whereas the trends for the other methods are similar to that obtained on more standard organic compounds. 
-In contrast, for the radical set, even the refined ROCC3 method yields a MAE of $0.05$ eV. 
+Consistent with our previous works, we found that CC3 is very accurate, whereas the trends for the other methods are similar to that obtained on more standard CNOSH organic compounds. 
+In contrast, for the radical set, even the refined ROCC3 method yields a comparatively large MAE of $0.05$ eV. 
 Likewise, the excitation energies obtained with CCSD are much less satisfying for open-shell derivatives (MAE of $0.20$ eV with UCCSD and $0.15$ eV with ROCCSD) than for the closed-shell systems (MAE of $0.07$ eV).
 
 %=======================
@@ -461,184 +468,573 @@ Likewise, the excitation energies obtained with CCSD are much less satisfying fo
 
 The QUEST\#5 subset is composed by additional accurate excitation energies that we have produced for the present article.
 This new set gathers 13 new systems composed by small molecules as well as larger molecules (see blue molecules in Fig.~\ref{fig:molecules}): aza-naphthalene, benzoquinone, cyclopentadienone, cyclopentadienethione, diazirine, hexatriene, maleimide, naphthalene, nitroxyl, octatetraene, streptocyanine-C3, streptocyanine-C5, and thioacrolein.
-For these new transitions, we report at least CCSDT/aug-cc-pVTZ vertical energies, and we consider that, out of these \alert{80} new transitions, \alert{55} of them can be labeled as ``safe'', \ie, considered as chemically accurate.
-The interested reader will find in the {\SupInf} a detailed discussion for each of these molecules in which comparisons are made with literature data.
-Statistical quantities related to the benchmark of various methods for the QUEST5 subset are reported in Table \ref{tab:QUEST5} and depicted in Fig.~\ref{fig:QUEST5_stat}.
-
-\begin{table}[bt]
-\centering
-\caption{Mean signed error (MSE), mean absolute error (MAE), root-mean-square error (RMSE), standard deviation of the errors (SDE), as well as the maximum positive [Max(+)] and negative [Max($-$)] errors with respect to the TBE/aug-cc-pVTZ for the QUEST5 subset.
-For the MSE and MAE, the statistical values are reported for various types of excited states and molecular sizes.
-All quantities are given in eV. ``Count'' refers to the number of transitions considered for each method.
-\label{tab:QUEST5}}
-\begin{threeparttable}
-\begin{tabular}{lccccccc}
-\headrow
-\thead{Method}	&	\thead{Count}	&	\thead{Max($+$)}	&	\thead{Max($-$)}	&	\thead{MSE}&	\thead{SDE}		&	\thead{RMSE}	&	\thead{MAE}\\
-CIS(D)			&	55	&	0.60	&	-0.55	&	0.16	&	0.23	&	0.28	&	0.23	\\
-ADC(2)			&	55	&	0.33	&	-0.49	&	-0.03	&	0.16	&	0.16	&	0.13	\\
-ADC(2.5)		&	53	&	0.13	&	-0.34	&	-0.06	&	0.10	&	0.11	&	0.09	\\
-ADC(3)			&	53	&	0.60	&	-0.53	&	-0.10	&	0.22	&	0.24	&	0.20	\\
-SOS-ADC(2)$^a$	&	55	&	0.40	&	-0.19	&	0.06	&	0.12	&	0.14	&	0.11	\\
-SCS-CC2			&	46	&	0.46	&	-0.03	&	0.19	&	0.12	&	0.22	&	0.19	\\
-SOS-ADC(2)$^b$	&	46	&	0.69	&	-0.02	&	0.24	&	0.13	&	0.27	&	0.24	\\
-SOS-CC2			&	46	&	0.77	&	0.02	&	0.28	&	0.16	&	0.32	&	0.28	\\
-CCSD(2)			&	55	&	0.80	&	-0.13	&	0.33	&	0.22	&	0.40	&	0.34	\\
-CCSD			&	55	&	0.80	&	-0.25	&	0.17	&	0.17	&	0.24	&	0.19	\\
-STEOM-CCSD		&	30	&	0.13	&	-0.36	&	-0.07	&	0.14	&	0.16	&	0.12	\\
-CCSDR(3)		&	37	&	0.43	&	0.00	&	0.09	&	0.08	&	0.12	&	0.09	\\
-CCSDT-3			&	37	&	0.23	&	-0.01	&	0.07	&	0.05	&	0.09	&	0.07	\\
-CC2				&	55	&	0.29	&	-0.54	&	-0.01	&	0.15	&	0.15	&	0.11	\\
-CC3				&	46	&	0.04	&	-0.03	&	-0.00	&	0.02	&	0.02	&	0.02	\\
-\hline  % Please only put a hline at the end of the table
-\end{tabular}
-\begin{tablenotes}
-\item $^a$ Excitation energies computed with Q-CHEM.
-\item $^b$ Excitation energies computed with TURBOMOLE.
-\end{tablenotes}
-\end{threeparttable}
-\end{table}
-
-
-\begin{figure}
-	\includegraphics[width=\textwidth]{QUEST5_stat}
-	\caption{Error (in eV) in excitation energies (with respect to TBE/aug-cc-pVTZ values) for various methods for the single excitations of the QUEST\#5 set.
-	The boxes contain the data between first and third quartiles, and the line in the box represents the median. 
-	The outliers are shown as dots.
-	\label{fig:QUEST5_stat}}
-\end{figure}
+For these new transitions, we report at least CCSDT/aug-cc-pVTZ quality vertical energies, and we consider that, out of these \alert{80} new transitions, \alert{55} of them can be labeled as ``safe'', \ie, considered as chemically accurate.
+We refer the interested reader to the {\SupInf} for a detailed discussion of each molecule for which comparisons are made with literature data.
+%Statistical quantities related to the benchmark of various methods for the QUEST5 subset are reported in Table \ref{tab:QUEST5} and depicted in Fig.~\ref{fig:QUEST5_stat}.
 
 %\begin{table}[bt]
 %\centering
-%\caption{Singlet and triplet excitation energies of various molecules obtained at the CC3, CCSDT, NEVPT2, and FCI levels of theory.}
+%\caption{Mean signed error (MSE), mean absolute error (MAE), root-mean-square error (RMSE), standard deviation of the errors (SDE), as well as the maximum positive [Max(+)] and negative [Max($-$)] errors with respect to the TBE/aug-cc-pVTZ for the QUEST5 subset.
+%Only the ``safe'' TBEs are considered (see Table \ref{tab:TBE}).
+%%For the MSE and MAE, the statistical values are reported for various types of excited states and molecular sizes.
+%All quantities are given in eV. 
+%``Count'' refers to the number of transitions considered for each method.
+%\label{tab:QUEST5}}
 %\begin{threeparttable}
-%\begin{tabular}{lccrrr}
+%\begin{tabular}{lccccccc}
 %\headrow
-%						& 					 			& \mc{4}{c}{6-31+G*}	\\
-%\thead{Molecule} 		& \thead{Transition} 			& \thead{CC3} & \thead{CCSDT} & \thead{NEVPT2} & \thead{FCI}\\
-%Aza-naphthalene			
-%	&	$^1B_{3g}(n \ra \pis)$ 		\\
-%	&	$^1B_{2u}(\pi \ra \pis)$	\\
-%	&	$^1B_{1u}(n \ra \pis)$ 		\\
-%	&	$^1B_{2g}(n \ra \pis)$ 		\\
-%	&	$^1B_{2g}(n \ra \pis)$ 		\\
-%	&	$^1B_{1u}(n \ra \pis)$ 		\\
-%	&	$^1A_u(n \ra \pis)$ 		\\
-%	&	$^1B_{3u}(\pi \ra \pis)$	\\
-%	&	$^1A_g(\pi \ra \pis)$		\\
-%	&	$^1A_u(n \ra \pis)$ 		\\
-%	&	$^1A_g(n \ra 3s)$			\\
-%	&	$^3B_{3g}(n \ra \pis)$		\\ 
-%	&	$^3B_{2u}(\pi \ra \pis)$	\\
-%	&	$^3B_{3u}(\pi \ra \pis)$	\\
-%	&	$^3B_{1u}(n \ra \pis)$ 		\\
-%	&	$^3B_{2g}(n \ra \pis)$ 		\\
-%	&	$^3B_{2g}(n \ra \pis)$ 		\\
-%	&	$^3B_{3u}(\pi \ra \pis)$	\\
-%	&	$^3A_u(n \ra \pis)$			\\
-%Benzoquinone			
-%	&	$^1 B_{1g}(n \ra \pis)$ 		&	&	&	&	\\
-%	&	$^1 A_{u}(n \ra \pis)$ 			&	&	&	&	\\
-%	&	$^1 A_{g}(\double)$ 			&	&	&	&	\\
-%	&	$^1 B_{3g}(\pi \ra \pis)$ 		&	&	&	&	\\
-%	&	$^1 B_{3u}(n \ra \pis)$ 		&	&	&	&	\\
-%	&	$^1 B_{2g}(n \ra \pis)$ 		&	&	&	&	\\
-%	&	$^1 A_{u}(n \ra \pis)$ 			&	&	&	&	\\
-%	&	$^1 B_{1g}(n \ra \pis)$ 		&	&	&	&	\\
-%	&	$^1 B_{2g}(n \ra \pis)$ 		&	&	&	&	\\
-%	&	$^3 B_{1g}(n \ra \pis)$ 		&	&	&	&	\\
-%	&	$^3 A_{u}(n \ra \pis)$ 			&	&	&	&	\\
-%	&	$^3 B_{1u}(\pi \ra \pis)$ 		&	&	&	&	\\
-%	&	$^3 B_{3g}(\pi \ra \pis)$ 		&	&	&	&	\\			
-%Cyclopentadienone	
-%	&	$^1A_2(n \ra \pis)$ 	\\
-%	&	$^1B_2(\pi \ra \pis)$	\\
-%	&	$^1B_1(\double)$		\\
-%	&	$^1A_1(\double)$		\\
-%	&	$^1A_1(\pi \ra \pis)$	\\
-%	&	$^3B_2(\pi \ra \pis)$	\\
-%	&	$^3A_2( \ra \pis)$		\\
-%	&	$^3A_1(\pi \ra \pis)$	\\
-%	&	$^3B_1(\double)$		\\
-%Cyclopentadienethione			
-%	&	$^1A_2(n \ra \pis)$		\\
-%	&	$^1B_2(\pi \ra \pis)$	\\
-%	&	$^1B_1(\double)$		\\
-%	&	$^1A_1(\pi \ra \pis)$	\\
-%	&	$^1A_1(\double)$		\\
-%	&	$^3A_2(n \ra \pis)$		\\
-%	&	$^3B_2(\pi \ra \pis)$	\\
-%	&	$^3A_1(\pi \ra \pis)$	\\
-%	&	$^3B_1(\double)$		\\
-%Hexatriene					
-%	&	$^1B_u(\pi \ra \pis)$	\\
-%	&	$^1A_g(\pi \ra \pis)$	\\
-%	&	$^1A_u(\pi \ra 3s)$		\\
-%	&	$^1B_g(\pi \ra 3p)$		\\
-%	&	$^3B_u(\pi \ra \pis)$	\\
-%	&	$^3A_g(\pi \ra \pis)$	\\
-%Maleimide							
-%	&	$^1B_1(n \ra \pis)$		\\
-%	&	$^1A_2(n \ra \pis)$		\\
-%	&	$^1B_2 (\pi \ra \pis)$	\\
-%	&	$^1B_2(\pi \ra \pis)$	\\
-%	&	$^1B_2(n \ra 3s)$		\\
-%	&	$^3B_1(n \ra \pis)$		\\
-%	&	$^3B_2(\pi \ra \pis)$	\\
-%	&	$^3B_2(\pi \ra \pis)$	\\
-%	&	$^3A_2(n \ra \pis)$		\\
-%Naphthalene		
-%	&	$^1B_{3u}(\pi \ra \pis)$	\\
-%	&	$^1B_{2u}(\pi \ra \pis)$	\\
-%	&	$^1A_u(\pi \ra 3s)$			\\
-%	&	$^1B_{1g}(\pi \ra \pis)$	\\
-%	&	$^1A_g(\pi \ra \pis)$		\\
-%	&	$^1B_{3g}(\pi \ra 3p)$		\\
-%	&	$^1B_{2g}(\pi \ra 3p)$		\\
-%	&	$^1B_{3u}(\pi \ra \pis)$	\\
-%	&	$^1B_{1u}(\pi \ra 3s)$		\\
-%	&	$^1B_{2u}(\pi \ra \pis)$	\\
-%	&	$^1B_{1g}(\pi \ra \pis)$	\\
-%	&	$^1A_g(\pi \ra \pis)$		\\
-%	&	$^3B_{2u}(\pi \ra \pis)$	\\
-%	&	$^3B_{3u}(\pi \ra \pis)$	\\
-%	&	$^3B_{1g}(\pi \ra \pis)$	\\
-%	&	$^3B_{2u}(\pi \ra \pis)$	\\
-%	&	$^3B_{3u}(\pi \ra \pis)$	\\
-%	&	$^3A_g(\pi \ra \pis)$		\\
-%	&	$^3B_{1g}(\pi \ra \pis)$	\\
-%	&	$^3A_g(\pi \ra \pis)$		\\
-%Nitroxyl				
-%	&	$^1A''(n \ra \pis)$		\\
-%	&	$^1A'(\double)$			\\
-%	&	$^1A'$					\\
-%	&	$^3A''(n \ra \pis)$		\\
-%	&	$^3A'(\pi \ra \pis)$	\\
-%Streptocyanine-C3		
-%	&	$^1B_2(\pi \ra \pis)$	\\
-%	&	$^3B_2(\pi \ra \pis)$	\\
-%Streptocyanine-C5		
-%	&	$^1B_2(\pi \ra \pis)$	\\
-%	&	$^3B_2(\pi \ra \pis)$	\\
-%Thioacrolein			
-%	&	$^1A''(n \ra \pis)$		\\
-%	&	$^3A''(n \ra \pis)$		\\
-%\hiderowcolors
+%\thead{Method}	&	\thead{Count}	&	\thead{Max($+$)}	&	\thead{Max($-$)}	&	\thead{MSE}&	\thead{SDE}		&	\thead{RMSE}	&	\thead{MAE}\\
+%CIS(D)			&	55	&	0.60	&	-0.55	&	0.16	&	0.23	&	0.28	&	0.23	\\
+%ADC(2)			&	55	&	0.33	&	-0.49	&	-0.03	&	0.16	&	0.16	&	0.13	\\
+%ADC(2.5)		&	53	&	0.13	&	-0.34	&	-0.06	&	0.10	&	0.11	&	0.09	\\
+%ADC(3)			&	53	&	0.60	&	-0.53	&	-0.10	&	0.22	&	0.24	&	0.20	\\
+%SOS-ADC(2)$^a$	&	55	&	0.40	&	-0.19	&	0.06	&	0.12	&	0.14	&	0.11	\\
+%SCS-CC2			&	46	&	0.46	&	-0.03	&	0.19	&	0.12	&	0.22	&	0.19	\\
+%SOS-ADC(2)$^b$	&	46	&	0.69	&	-0.02	&	0.24	&	0.13	&	0.27	&	0.24	\\
+%SOS-CC2			&	46	&	0.77	&	0.02	&	0.28	&	0.16	&	0.32	&	0.28	\\
+%CCSD(2)			&	55	&	0.80	&	-0.13	&	0.33	&	0.22	&	0.40	&	0.34	\\
+%CCSD			&	55	&	0.80	&	-0.25	&	0.17	&	0.17	&	0.24	&	0.19	\\
+%STEOM-CCSD		&	30	&	0.13	&	-0.36	&	-0.07	&	0.14	&	0.16	&	0.12	\\
+%CCSDR(3)		&	37	&	0.43	&	0.00	&	0.09	&	0.08	&	0.12	&	0.09	\\
+%CCSDT-3			&	37	&	0.23	&	-0.01	&	0.07	&	0.05	&	0.09	&	0.07	\\
+%CC2				&	55	&	0.29	&	-0.54	&	-0.01	&	0.15	&	0.15	&	0.11	\\
+%CC3				&	46	&	0.04	&	-0.03	&	-0.00	&	0.02	&	0.02	&	0.02	\\
 %\hline  % Please only put a hline at the end of the table
 %\end{tabular}
-
 %\begin{tablenotes}
-%\item JKL, just keep laughing; MN, merry noise.
+%\item $^a$ Q-CHEM scaling factors.
+%\item $^b$ TURBOMOLE scaling factors.
 %\end{tablenotes}
 %\end{threeparttable}
 %\end{table}
 
+
+%\begin{figure}
+%	\includegraphics[width=\textwidth]{QUEST5_stat}
+%	\caption{Error (in eV) in excitation energies (with respect to TBE/aug-cc-pVTZ values) for various methods for the single excitations of the QUEST\#5 set.
+%	The boxes contain the data between first and third quartiles, and the line in the box represents the median. 
+%	The outliers are shown as dots.
+%	\label{fig:QUEST5_stat}}
+%\end{figure}
+%DJ: Bcp de choses pour cette Fig: 1) la caption dans la Fig est illisible + enelver AVTZ + mettre les m�thoides dans un ordre logique
+%DJ: Ce n'est que pour Quest 5 ou c'est l'ensemble ??? Pas sur de savoir de vos valeurs en fait
+%DJ: que les safes states ?
+
+
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \section{Theoretical best estimates}
 \label{sec:TBE}
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 We discuss in this section the generation of the TBEs obtained with the aug-cc-pVTZ basis as well as oscillator strengths for most transitions.
-An exhaustive list of TBEs can be found in the {\SupInf}.
+The exhaustive list of TBEs can be found in Table \ref{tab:TBEs} alongside various specifications: 
+
+\begin{ThreePartTable}
+\scriptsize
+\centering
+\begin{longtable}{clccccclc}
+\caption{Theoretical best estimates TBEs (in eV), oscillator strengths $f$, percentage of single excitations $\%T_1$ involved in the transition (computed at the CC3 level) for the entire QUEST database. 
+``Method'' provides the protocol employed to compute the TBEs, ``\# atoms'' corresponds to the number of non-H atoms.
+The nature of the excitation is also provided: V, R, and CT stands for valence, Rydberg, and charge transfer, respectively.
+All quantities are obtained with the aug-cc-pVTZ basis. 
+\label{tab:TBE}}
+\\
+\#	&\thead{Molecule}	&	\thead{Excitation}	&	\thead{Nature}		&	\thead{$\%T_1$}	&	\thead{f}	&	\thead{TBE}	&	\thead{Method} &	\thead{Safe?}\\
+\endfirsthead
+\multicolumn{9}{c}{\tablename\ \thetable\ -- \textit{Continued from previous page}} \\
+\thead{\#}	&\thead{Molecule}	&	\thead{Excitation}	&	\thead{Nature}		&	\thead{$\%T_1$}	&	\thead{f}	&	\thead{TBE}	&	\thead{Method} &	\thead{Safe?}\\
+\endhead
+\hline \multicolumn{9}{r}{\textit{Continued on next page}} \\
+\endfoot
+\hline
+\endlastfoot
+1	&	Acetaldehyde	&	$^1A''  (n \ra \pi^*)$	&	V	&	91	&	0.	&	4.31	&	FCI/AVTZ	&	Y	\\
+2	&		&	$^3A''  (n \ra \pi^*)$	&	V	&	97	&		&	3.97	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+3	&	Acetone	&	$^1A_2   (n \ra \pi^*)$	&	V	&	91	&		&	4.47	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+4	&		&	$^1B_2   (n \ra 3s)$	&	R	&	90	&	0.	&	6.46	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+5	&		&	$^1A_2   (n \ra 3p)$	&	R	&	90	&		&	7.47	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+6	&		&	$^1A_1   (n \ra 3p)$	&	R	&	90	&	0.004	&	7.51	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+7	&		&	$^1B_2   (n \ra 3p)$	&	R	&	91	&	0.029	&	7.62	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+8	&		&	$^3A_2   (n \ra \pi^*)$	&	V	&	97	&		&	4.13	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+9	&		&	$^3A_1   (\pi \ra \pi^*)$	&	V	&	98	&		&	6.25	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+10	&	Acetylene 	&	$^1\Sigma_u^-  (\pi \ra \pi^*)$	&	V	&	96	&		&	7.1	&	FCI/AVTZ	&	Y	\\
+11	&	                              	&	$^1\Delta_u  (\pi \ra \pi^*)$	&	V	&	93	&		&	7.44	&	FCI/AVTZ	&	Y	\\
+12	&	                              	&	$^3\Sigma_u^+ (\pi \ra \pi^*)$	&	V	&	99	&		&	5.53	&	FCI/AVTZ	&	Y	\\
+13	&	                              	&	$^3\Delta_u  (\pi \ra \pi^*)$	&	V	&	99	&		&	6.4	&	FCI/AVTZ	&	Y	\\
+14	&	                              	&	$^3\Sigma_u^-  (\pi \ra \pi^*)$	&	V	&	98	&		&	7.08	&	FCI/AVTZ	&	Y	\\
+15	&	                              	&	$^1A_u [F] (\pi \ra \pi^*)$	&	V	&	95	&		&	3.64	&	FCI/AVTZ	&	Y	\\
+16	&		&	$^1A_2 [F] (\pi \ra \pi^*)$	&	V	&	95	&		&	3.85	&	FCI/AVTZ	&	Y	\\
+17	&	Acrolein	&	$^1A''   (n \ra \pi^*)$	&	V	&	87	&	0.	&	3.78	&	FCI/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+18	&		&	$^1A'   (\pi \ra \pi^*)$	&	V	&	91	&	0.344	&	6.69	&	CCSDT/AVTZ	&	Y	\\
+19	&		&	$^1A''   (n \ra \pi^*)$	&	V	&	79	&	0.	&	6.72	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	N	\\
+20	&		&	$^1A'   (n \ra 3s)$	&	R	&	89	&	0.109	&	7.08	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+21	&		&	$^3A''   (n \ra \pi^*)$	&	V	&	97	&		&	3.51	&	FCI/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+22	&		&	$^3A'   (\pi \ra \pi^*)$	&	V	&	98	&		&	3.94	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+23	&		&	$^3A'    (\pi \ra \pi^*)$	&	V	&	98	&		&	6.18	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+24	&		&	$^3A''   (n \ra \pi^*)$	&	V	&	92	&		&	6.54	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	N	\\
+25	&	Ammonia 	&	$^1A_2   (n \ra 3s)$	&	R	&	93	&	0.086	&	6.59	&	FCI/AVTZ	&	Y	\\
+26	&	                              	&	$^1E   (n \ra 3p)$	&	R	&	93	&	0.006	&	8.16	&	FCI/AVTZ	&	Y	\\
+27	&	                              	&	$^1A_1   (n \ra 3p)$	&	R	&	94	&	0.003	&	9.33	&	FCI/AVTZ	&	Y	\\
+28	&	                              	&	$^1A_2   (n \ra 3s)$	&	R	&	93	&	0.008	&	9.96	&	FCI/AVTZ	&	Y	\\
+29	&	                              	&	$^3A_2   (n \ra 3s)$	&	R	&	98	&		&	6.31	&	FCI/AVTZ	&	Y	\\
+30	&	Aza-naphthalene	&	$^1B_{3g} (n \ra \pi^*)$	&	V	&	88	&		&	3.14	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+31	&		&	$^1B_{2u} (\pi \ra \pi^*)$	&	V	&	86	&	0.19	&	4.28	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+32	&		&	$^1B_{1u} (n \ra \pi^*)$	&	V	&	88	&	n.d.	&	4.34	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+33	&		&	$^1B_{2g}    (n \ra \pi^*)$	&	V	&	87	&		&	4.55	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+34	&		&	$^1B_{2g}    (n \ra \pi^*)$	&	V	&	84	&		&	4.89	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+35	&		&	$^1B_{1u} (n \ra \pi^*)$	&	V	&	82	&	n.d.	&	5.24	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	N	\\
+36	&		&	$^1A_u (n \ra \pi^*)$	&	V	&	83	&		&	5.34	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+37	&		&	$^1B_{3u} (\pi \ra \pi^*)$	&	V	&	88	&	0.028	&	5.68	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	N	\\
+38	&		&	$^1A_g (\pi \ra \pi^*)$	&	V	&	85	&		&	5.8	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+39	&		&	$^1A_u (n \ra \pi^*)$	&	V	&	84	&		&	5.92	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+40	&		&	$^1A_g (n \ra 3s)$	&	R	&	90	&		&	6.5	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+41	&		&	$^3B_{3g}    (n \ra \pi^*)$	&	V	&	96	&		&	2.82	&	CC3/AVTZ	&	N	\\
+42	&		&	$^3B_{2u} (\pi \ra \pi^*)$	&	V	&	97	&		&	3.67	&	CC3/AVTZ	&	N	\\
+43	&		&	$^3B_{3u} (\pi \ra \pi^*)$	&	V	&	97	&		&	3.75	&	CC3/AVTZ	&	N	\\
+44	&		&	$^3B_{1u} (n \ra \pi^*)$	&	V	&	97	&		&	3.77	&	CC3/AVTZ	&	N	\\
+45	&		&	$^3B_{2g} (n \ra \pi^*)$	&	V	&	48	&		&	4.34	&	CC3/AVTZ	&	N	\\
+46	&		&	$^3B_{2g} (n \ra \pi^*)$	&	V	&	95	&		&	4.61	&	CC3/AVTZ	&	N	\\
+47	&		&	$^3B_{3u} (\pi \ra \pi^*)$	&	V	&	96	&		&	4.75	&	CC3/AVTZ	&	N	\\
+48	&		&	$^3A_u (n \ra \pi^*)$	&	V	&	96	&		&	4.87	&	CC3/AVTZ	&	N	\\
+49	&	Benzene	&	$^1B_{2u}    (\pi \ra \pi^*)$	&	V	&	86	&		&	5.06	&	CCSDT/AVTZ	&	Y	\\
+50	&		&	$^1B_{1u}    (\pi \ra \pi^*)$	&	V	&	92	&		&	6.45	&	CCSDT/AVTZ	&	Y	\\
+51	&		&	$^1E_{1g}    (\pi \ra 3s)$	&	R	&	92	&		&	6.52	&	CCSDT/AVTZ	&	Y	\\
+52	&		&	$^1A_{2u}     (\pi \ra 3p)$	&	R	&	93	&	0.066	&	7.08	&	CCSDT/AVTZ	&	Y	\\
+53	&		&	$^1E_{2u}     (\pi \ra 3p)$	&	R	&	92	&		&	7.15	&	CCSDT/AVTZ	&	Y	\\
+54	&		&	$^3B_{1u}    (\pi \ra \pi^*)$	&	V	&	98	&		&	4.16	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+55	&		&	$^3E_{1u}   (\pi \ra \pi^*)$	&	V	&	97	&		&	4.85	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+56	&		&	$^3B_{2u}    (\pi \ra \pi^*)$	&	V	&	98	&		&	5.81	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+57	&	Benzoquinone	&	$^1B_{1g}    (n \ra \pi^*)$	&	V	&	85	&		&	2.82	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+58	&		&	$^1A_u (n \ra \pi^*)$	&	V	&	84	&		&	2.96	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+59	&		&	$^1A_g (\text{double})$	&	V	&	0	&		&	4.57	&	NEVPT2/AVTZ	&	N	\\
+60	&		&	$^1B_{3g}    (\pi \ra \pi^*)$	&	V	&	88	&		&	4.58	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	N	\\
+61	&		&	$^1B_{1u}    (\pi \ra \pi^*)$	&	V	&	88	&	0.471	&	5.62	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	N	\\
+62	&		&	$^1B_{3u}    (n \ra \pi^*)$	&	V	&	79	&	0.001	&	5.79	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	N	\\
+63	&		&	$^1B_{2g}    (n \ra \pi^*)$	&	V	&	76	&		&	5.95	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+64	&		&	$^1A_u (n \ra \pi^*)$	&	V	&	74	&		&	6.35	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	N	\\
+65	&		&	$^1B_{1g}    (n \ra \pi^*)$	&	V	&	83	&		&	6.38	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	N	\\
+66	&		&	$^1B_{2g}    (n \ra \pi^*)$	&	V	&	86	&		&	7.22	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+67	&		&	$^3B_{1g}    (n \ra \pi^*)$	&	V	&	96	&		&	2.58	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+68	&		&	$^3A_u (n \ra \pi^*)$	&	V	&	95	&		&	2.72	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+69	&		&	$^3B_{1u}    (\pi \ra \pi^*)$	&	V	&	97	&		&	3.12	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+70	&		&	$^3B_{3g}    (\pi \ra \pi^*)$	&	V	&	97	&		&	3.46	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+71	&	Butadiene	&	$^1B_u    (\pi \ra \pi^*)$	&	V	&	93	&	0.664	&	6.22	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+72	&		&	$^1B_g   (\pi \ra 3s)$	&	R	&	94	&		&	6.33	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+73	&		&	$^1A_g    (\pi \ra \pi^*)$	&	V	&	75	&		&	6.5	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+74	&		&	$^1A_u   (\pi \ra 3p)$	&	R	&	94	&	0.001	&	6.64	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+75	&		&	$^1A_u   (\pi \ra 3p)$	&	R	&	94	&	0.049	&	6.8	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+76	&		&	$^1B_u   (\pi \ra 3p)$	&	R	&	93	&	0.055	&	7.68	&	CCSDTQ/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+77	&		&	$^3B_u   (\pi \ra \pi^*)$	&	V	&	98	&		&	3.36	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+78	&		&	$^3A_g   (\pi \ra \pi^*)$	&	V	&	98	&		&	5.2	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+79	&		&	$^3B_g   (\pi \ra 3s)$	&	R	&	97	&		&	6.29	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+80	&	Carbon monoxide 	&	$^1\Pi   (n \ra \pi^*)$	&	V	&	93	&	0.168	&	8.49	&	FCI/AVTZ	&	Y	\\
+81	&	                              	&	$^1\Sigma^-   (\pi \ra \pi^*)$	&	V	&	93	&		&	9.92	&	FCI/AVTZ	&	Y	\\
+82	&	                              	&	$^1\Delta   (\pi \ra \pi^*)$	&	V	&	91	&		&	10.1	&	FCI/AVTZ	&	Y	\\
+83	&	                              	&	$^1\Sigma^+   ()$	&	R	&	91	&	0.003	&	10.9	&	FCI/AVTZ	&	Y	\\
+84	&	                              	&	$^1\Sigma^+   ()$	&	R	&	92	&	0.2	&	11.5	&	FCI/AVTZ	&	Y	\\
+85	&	                              	&	$^1\Pi   ()$	&	R	&	92	&	0.106	&	11.7	&	FCI/AVTZ	&	Y	\\
+86	&	                              	&	$^3\Pi   (n \ra \pi^*)$	&	V	&	98	&		&	6.28	&	FCI/AVTZ	&	Y	\\
+87	&	                              	&	$^3\Sigma^+   (\pi \ra \pi^*)$	&	V	&	98	&		&	8.45	&	FCI/AVTZ	&	Y	\\
+88	&	                              	&	$^3\Delta (\pi \ra \pi^*)$	&	V	&	98	&		&	9.27	&	FCI/AVTZ	&	Y	\\
+89	&	                              	&	$^3\Sigma^-   (\pi \ra \pi^*)$	&	V	&	97	&		&	9.8	&	FCI/AVTZ	&	Y	\\
+90	&	                              	&	$^3\Sigma^+   ()$	&	R	&	98	&		&	10.5	&	FCI/AVTZ	&	Y	\\
+91	&	Carbonylfluoride	&	$^1A_2 (n \ra \pi^*)$	&	V	&	91	&		&	7.31	&	FCI/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+92	&		&	$^3A_2 (n \ra \pi^*)$	&	V	&	97	&		&	7.06	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+93	&	CCl2	&	$^1B_1 (\si \ra \pi)$	&	V	&	93	&	0.002	&	2.59	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+94	&		&	$^1A_2 ()$	&	V	&	88	&		&	4.4	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+95	&		&	$^3B_1 (\si \ra \pi)$	&	V	&	98	&		&	1.22	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+96	&		&	$^3A_2 ()$	&	V	&	96	&		&	4.31	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+97	&	CClF	&	$^1A" (\si \ra \pi)$	&	V	&	93	&	0.007	&	3.57	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+98	&	CF2	&	$^1B_1 (\si \ra \pi)$	&	V	&	94	&	0.034	&	5.09	&	FCI/AVTZ	&	Y	\\
+99	&		&	$^3B_1 (\si \ra \pi)$	&	V	&	99	&		&	2.77	&	FCI/AVTZ	&	Y	\\
+100	&	Cyanoacetylene	&	$^1\Sigma^-   (\pi \ra \pi^*)$	&	V	&	94	&		&	5.8	&	CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+101	&		&	$^1\Delta   (\pi \ra \pi^*)$	&	V	&	94	&		&	6.07	&	CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+102	&		&	$^3\Sigma^+  (\pi \ra \pi^*)$	&	V	&	98	&		&	4.44	&	CCSDT/AVTZ	&	Y	\\
+103	&		&	$^3\Delta   (\pi \ra \pi^*)$	&	V	&	98	&		&	5.21	&	CCSDT/AVTZ	&	Y	\\
+104	&		&	$^1A'' [F] (\pi \ra \pi^*)$	&	V	&	93	&	0.004	&	3.54	&	CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+105	&	Cyanoformaldehyde	&	$^1A''   (n \ra \pi^*)$	&	V	&	89	&	0.001	&	3.81	&	CCSDT/AVTZ	&	Y	\\
+106	&		&	$^1A''  (\pi \ra \pi^*)$	&	V	&	91	&	0.	&	6.46	&	CCSDT/AVTZ	&	Y	\\
+107	&		&	$^3A''   (n \ra \pi^*)$	&	V	&	97	&		&	3.44	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+108	&		&	$^3A'    (\pi \ra \pi^*)$	&	V	&	98	&		&	5.01	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+109	&	Cyanogen	&	$ ^1\Sigma_u^-   (\pi \ra \pi^*)$	&	V	&	94	&		&	6.39	&	CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+110	&		&	$ ^1\Delta_u   (\pi \ra \pi^*)$	&	V	&	93	&		&	6.66	&	CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+111	&		&	$ ^3\Sigma_u^+  (\pi \ra \pi^*)$	&	V	&	98	&		&	4.91	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+112	&		&	$ ^1\Sigma_u^-  [F] (\pi \ra \pi^*)$	&	V	&	93	&		&	5.05	&	CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+113	&	Cyclopentadiene	&	$^1B_2   (\pi \ra \pi^*)$	&	V	&	93	&	0.084	&	5.56	&	CCSDT/AVTZ	&	Y	\\
+114	&		&	$^1A_2   (\pi \ra 3s)$	&	R	&	94	&		&	5.78	&	CCSDT/AVTZ	&	Y	\\
+115	&		&	$^1B_1    (\pi \ra 3p)$	&	R	&	94	&	0.037	&	6.41	&	CCSDT/AVTZ	&	Y	\\
+116	&		&	$^1A_2    (\pi \ra 3p)$	&	R	&	93	&		&	6.46	&	CCSDT/AVTZ	&	Y	\\
+117	&		&	$^1B_2    (\pi \ra 3p)$	&	R	&	94	&	0.046	&	6.56	&	CCSDT/AVTZ	&	Y	\\
+118	&		&	$^1A_1 (\pi \ra \pi^*)$	&	V	&	78	&	0.01	&	6.52	&	CCSDT/AVTZ	&	N	\\
+119	&		&	$^3B_2   (\pi \ra \pi^*)$	&	V	&	98	&		&	3.31	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+120	&		&	$^3A_1   (\pi \ra \pi^*)$	&	V	&	98	&		&	5.11	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+121	&		&	$^3A_2   (\pi \ra 3s)$	&	R	&	97	&		&	5.73	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+122	&		&	$^3B_1   (\pi \ra 3p)$	&	R	&	97	&		&	6.36	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+123	&	Cyclopentadienone	&	$^1A_2 (n \ra \pi^*)$	&	V	&	88	&		&	2.94	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+124	&		&	$^1B_2 (\pi \ra \pi^*)$	&	V	&	91	&	0.004	&	3.58	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+125	&		&	$^1B_1 (\text{double})$	&	V	&	3	&	0.	&	5.02	&	NEVPT2/AVTZ	&	N	\\
+126	&		&	$^1A_1 (\text{double})$	&	V	&	49	&	0.131	&	6.	&	NEVPT2/AVTZ	&	N	\\
+127	&		&	$^1A_1 (\pi \ra \pi^*)$	&	V	&	73	&	0.09	&	6.09	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	N	\\
+128	&		&	$^3B_2 (\pi \ra \pi^*)$	&	V	&	98	&		&	2.29	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+129	&		&	$^3A_2 (n \ra \pi^*)$	&	V	&	96	&		&	2.65	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+130	&		&	$^3A_1 (\pi \ra \pi^*)$	&	V	&	98	&		&	4.19	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+131	&		&	$^3B_1 (\text{double})$	&	V	&	10	&		&	4.91	&	NEVPT2/AVTZ	&	N	\\
+132	&	Cyclopentadienethione	&	$^1A_2 (n \ra \pi^*)$	&	V	&	87	&		&	1.7	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+133	&		&	$^1B_2 (\pi \ra \pi^*)$	&	V	&	85	&	0.	&	2.63	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+134	&		&	$^1B_1 (\text{double})$	&	V	&	1	&	0.	&	3.16	&	NEVPT2/AVTZ	&	N	\\
+135	&		&	$^1A_1 (\pi \ra \pi^*)$	&	V	&	89	&	0.378	&	4.96	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+136	&		&	$^1A_1 (\text{double})$	&	V	&	51	&	0.003	&	5.43	&	NEVPT2/AVTZ	&	N	\\
+137	&		&	$^3A_2 (n \ra \pi^*)$	&	V	&	97	&		&	1.47	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+138	&		&	$^3B_2 (\pi \ra \pi^*)$	&	V	&	97	&		&	1.88	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+139	&		&	$^3A_1 (\pi \ra \pi^*)$	&	V	&	98	&		&	2.51	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+140	&		&	$^3B_1 (\text{double})$	&	V	&	4	&		&	3.13	&	NEVPT2/AVTZ	&	N	\\
+141	&	Cyclopropene 	&	$^1B_1   (\si \ra \pi)$	&	V	&	92	&	0.001	&	6.68	&	CCSDT/AVTZ	&	Y	\\
+142	&	                              	&	$^1B_2   (\pi \ra \pi^*)$	&	V	&	95	&	0.071	&	6.79	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+143	&	                              	&	$^3B_2   (\pi \ra \pi^*)$	&	V	&	98	&		&	4.38	&	FCI/AVTZ	&	Y	\\
+144	&	                              	&	$^3B_1   (\si \ra \pi)$	&	V	&	98	&		&	6.45	&	FCI/AVTZ	&	Y	\\
+145	&	Cyclopropenone	&	$^1B_1   (n \ra \pi^*)$	&	V	&	87	&	0.	&	4.26	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+146	&		&	$^1A_2   (n \ra \pi^*)$	&	V	&	91	&		&	5.55	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+147	&		&	$^1B_2    (n \ra 3s)$	&	R	&	90	&	0.003	&	6.34	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+148	&		&	$^1B_2    (\pi \ra \pi^*)$	&	V	&	86	&	0.047	&	6.54	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+149	&		&	$^1B_2    (n \ra 3p)$	&	R	&	91	&	0.018	&	6.98	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+150	&		&	$^1A_1   (n \ra 3p)$	&	R	&	91	&	0.003	&	7.02	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+151	&		&	$^1A_1   (\pi \ra \pi^*)$	&	V	&	90	&	0.32	&	8.28	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+152	&		&	$^3B_1   (n \ra \pi^*)$	&	V	&	96	&		&	3.93	&	CCSDT/AVTZ	&	Y	\\
+153	&		&	$^3B_2   (\pi \ra \pi^*)$	&	V	&	97	&		&	4.88	&	CCSDT/AVTZ	&	Y	\\
+154	&		&	$^3A_2   (n \ra \pi^*)$	&	V	&	97	&		&	5.35	&	CCSDT/AVTZ	&	Y	\\
+155	&		&	$^3A_1   (\pi \ra \pi^*)$	&	V	&	98	&		&	6.79	&	CCSDT/AVTZ	&	Y	\\
+156	&	Cyclopropenethione	&	$^1A_2   (n \ra \pi^*)$	&	V	&	89	&		&	3.41	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+157	&		&	$^1B_1    (n \ra \pi^*)$	&	V	&	84	&	0.	&	3.45	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+158	&		&	$^1B_2    (\pi \ra \pi^*)$	&	V	&	83	&	0.007	&	4.6	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+159	&		&	$^1B_2    (n \ra 3s)$	&	R	&	91	&	0.048	&	5.34	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+160	&		&	$^1A_1   (\pi \ra \pi^*)$	&	V	&	89	&	0.228	&	5.46	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+161	&		&	$^1B_2   (n \ra 3p)$	&	R	&	91	&	0.084	&	5.92	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+162	&		&	$^3A_2   (n \ra \pi^*)$	&	V	&	97	&		&	3.28	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+163	&		&	$^3B_1   (n \ra \pi^*)$	&	V	&	94	&		&	3.32	&	CCSDT/AVTZ	&	Y	\\
+164	&		&	$^3B_2   (\pi \ra \pi^*)$	&	V	&	96	&		&	4.01	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+165	&		&	$^3A_1   (\pi \ra \pi^*)$	&	V	&	98	&		&	4.01	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+166	&	Diacetylene	&	$^1\Sigma_u^-   (\pi \ra \pi^*)$	&	V	&	94	&		&	5.33	&	CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+167	&		&	$^1\Delta_u   (\pi \ra \pi^*)$	&	V	&	94	&		&	5.61	&	CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+168	&		&	$^3\Sigma_u^+   (\pi \ra \pi^*)$	&	V	&	98	&		&	4.1	&	CCSDTQ/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+169	&		&	$^3\Delta_u   (\pi \ra \pi^*)$	&	V	&	98	&		&	4.78	&	CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+170	&	Diazirine	&	$^1B_1    (n \ra \pi^*)$	&	V	&	92	&	0.002	&	4.09	&	CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+171	&		&	$^1B_2    (\si \ra \pi)$	&	V	&	90	&		&	7.27	&	CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+172	&		&	$^1A_2   (n \ra 3s)$	&	R	&	93	&	0.	&	7.44	&	CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+173	&		&	$^1A_1   (n \ra 3p)$	&	R	&	93	&	0.132	&	8.03	&	CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+174	&		&	$^3B_1   (n \ra \pi^*)$	&	V	&	98	&		&	3.49	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+175	&		&	$^3B_2   (\pi \ra \pi^*)$	&	V	&	98	&		&	5.06	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+176	&		&	$^3A_2   (n \ra \pi^*)$	&	V	&	98	&		&	6.12	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+177	&		&	$^3A_1   (n \ra 3p)$	&	R	&	98	&		&	6.81	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+178	&	Diazomethane 	&	$^1A_2   (\pi \ra \pi^*)$	&	V	&	90	&		&	3.14	&	FCI/AVTZ	&	Y	\\
+179	&	                              	&	$^1B_1   (\pi \ra 3s)$	&	R	&	93	&	0.016	&	5.54	&	FCI/AVTZ	&	Y	\\
+180	&	                              	&	$^1A_1   (\pi \ra \pi^*)$	&	V	&	91	&	0.234	&	5.9	&	FCI/AVTZ	&	Y	\\
+181	&	                              	&	$^3A_2   (\pi \ra \pi^*)$	&	V	&	97	&		&	2.79	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+182	&	                              	&	$^3A_1   (\pi \ra \pi^*)$	&	V	&	98	&		&	4.05	&	FCI/AVTZ	&	Y	\\
+183	&	                              	&	$^3B_1   (p3s )$	&	R	&	98	&		&	5.35	&	FCI/AVTZ	&	Y	\\
+184	&	                              	&	$^3A_1   (\pi \ra 3p)$	&	R	&	98	&		&	6.82	&	FCI/AVTZ	&	Y	\\
+185	&	                              	&	$^1A'' [F] (\pi \ra \pi^*)$	&	V	&	87	&	0.	&	0.71	&	FCI/AVTZ	&	Y	\\
+186	&	Difluorodiazirine	&	$^1B_1 (n \ra \pi^*)$	&	V	&	93	&	0.002	&	3.74	&	CCSDT/AVTZ	&	Y	\\
+187	&		&	$^1A_2 (\pi \ra \pi^*)$	&	V	&	91	&		&	7.	&	CCSDT/AVTZ	&	Y	\\
+188	&		&	$^1B_2 (\pi \ra \pi^*)$	&	V	&	93	&	0.026	&	8.52	&	CCSDT/AVTZ	&	Y	\\
+189	&		&	$^3B_1 (n \ra \pi^*)$	&	V	&	98	&		&	3.03	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+190	&		&	$^3B_2   (\pi \ra \pi^*)$	&	V	&	98	&		&	5.44	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+191	&		&	$^3A_2 (\pi \ra \pi^*)$	&	V	&	98	&		&	5.8	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+192	&	Dinitrogen 	&	$^1\Pi_g    (n \ra \pi^*)$	&	V	&	92	&		&	9.34	&	FCI/AVTZ	&	Y	\\
+193	&	                              	&	$^1\Sigma_u^- (\pi \ra \pi^*)$	&	V	&	97	&		&	9.88	&	FCI/AVTZ	&	Y	\\
+194	&	                              	&	$^1\Delta_u   (\pi \ra \pi^*)$	&	V	&	95	&	0.	&	10.3	&	FCI/AVTZ	&	Y	\\
+195	&	                              	&	$^1\Sigma_g^+ ()$	&	R	&	92	&		&	13.	&	FCI/AVTZ	&	Y	\\
+196	&	                              	&	$^1\Pi_u    ()$	&	R	&	82	&	0.458	&	13.	&	FCI/AVTZ	&	Y	\\
+197	&	                              	&	$^1\Sigma_u^+ ()$	&	R	&	92	&	0.296	&	13.1	&	FCI/AVTZ	&	Y	\\
+198	&	                              	&	$^1\Pi_u   ()$	&	R	&	87	&	0.	&	13.5	&	FCI/AVTZ	&	Y	\\
+199	&	                              	&	$^3\Sigma_u^+  (\pi \ra \pi^*)$	&	V	&	99	&		&	7.7	&	FCI/AVTZ	&	Y	\\
+200	&	                              	&	$^3\Pi_g   (n \ra \pi^*)$	&	V	&	98	&		&	8.01	&	FCI/AVTZ	&	Y	\\
+201	&	                              	&	$^3\Delta_u   (\pi \ra \pi^*)$	&	V	&	99	&		&	8.87	&	FCI/AVTZ	&	Y	\\
+202	&	                              	&	$^3\Sigma_u^-  (\pi \ra \pi^*)$	&	V	&	98	&		&	9.66	&	FCI/AVTZ	&	Y	\\
+203	&	Ethylene 	&	$^1B_{3u}    (p3s )$	&	R	&	95	&	0.078	&	7.39	&	FCI/AVTZ	&	Y	\\
+204	&	                              	&	$^1B_{1u}    (\pi \ra \pi^*)$	&	V	&	95	&	0.346	&	7.93	&	FCI/AVTZ	&	Y	\\
+205	&	                              	&	$^1B_{1g}    (\pi \ra 3p)$	&	R	&	95	&		&	8.08	&	FCI/AVTZ	&	Y	\\
+206	&	                              	&	$^3B_{1u}    (\pi \ra \pi^*)$	&	V	&	99	&		&	4.54	&	FCI/AVTZ	&	Y	\\
+207	&	                              	&	$^3B_{3u}    (p3s )$	&	R	&	98	&		&	7.23	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+208	&	                              	&	$^3B_{1g}    (\pi \ra 3p)$	&	R	&	98	&		&	7.98	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+209	&	Formaldehyde 	&	$^1A_2   (n \ra \pi^*)$	&	V	&	91	&		&	3.98	&	FCI/AVTZ	&	Y	\\
+210	&	                              	&	$^1B_2   (n \ra 3s)$	&	R	&	91	&	0.021	&	7.23	&	FCI/AVTZ	&	Y	\\
+211	&	                              	&	$^1B_2   (n \ra 3p)$	&	R	&	92	&	0.037	&	8.13	&	FCI/AVTZ	&	Y	\\
+212	&	                              	&	$^1A_1   (n \ra 3p)$	&	R	&	91	&	0.052	&	8.23	&	FCI/AVTZ	&	Y	\\
+213	&	                              	&	$^1A_2   (n \ra 3p)$	&	R	&	91	&		&	8.67	&	FCI/AVTZ	&	Y	\\
+214	&	                              	&	$^1B_1   ()$	&	V	&	90	&	0.001	&	9.22	&	FCI/AVTZ	&	Y	\\
+215	&	                              	&	$^1A_1   (\pi \ra \pi^*)$	&	V	&	90	&	0.135	&	9.43	&	FCI/AVTZ	&	Y	\\
+216	&	                              	&	$^3A_2   (n \ra \pi^*)$	&	V	&	98	&		&	3.58	&	FCI/AVTZ	&	Y	\\
+217	&	                              	&	$^3A_1   (\pi \ra \pi^*)$	&	V	&	99	&		&	6.06	&	FCI/AVTZ	&	Y	\\
+218	&	                              	&	$^3B_2   (n \ra 3s)$	&	R	&	97	&		&	7.06	&	FCI/AVTZ	&	Y	\\
+219	&	                              	&	$^3B_2   (n \ra 3p)$	&	R	&	97	&		&	7.94	&	FCI/AVTZ	&	Y	\\
+220	&	                              	&	$^3A_1   (n \ra 3p)$	&	R	&	97	&		&	8.1	&	FCI/AVTZ	&	Y	\\
+221	&	                              	&	$^3B_1   ()$	&	R	&	97	&		&	8.42	&	FCI/AVTZ	&	Y	\\
+222	&	                              	&	$^1A^" [F] (n \ra \pi^*)$	&	V	&	87	&	0.	&	2.8	&	FCI/AVTZ	&	Y	\\
+223	&	Formamide 	&	$^1A''   (n \ra \pi^*)$	&	V	&	90	&	0.	&	5.65	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+224	&		&	$^1A'    (n \ra 3s)$	&	R	&	88	&	0.001	&	6.77	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	N	\\
+225	&		&	$^1A'    (n \ra 3p)$	&	R	&	89	&	0.111	&	7.38	&	CCSDT/AVTZ	&	N	\\
+226	&		&	$^1A'    (\pi \ra \pi^*)$	&	V	&	89	&	0.251	&	7.63	&	FCI/AVTZ	&	N	\\
+227	&	                              	&	$^3A''   (n \ra \pi^*)$	&	V	&	97	&		&	5.38	&	FCI/AVDZ + [CC3/AVTZ - CCS3/AVDZ]	&	Y	\\
+228	&	                              	&	$^3A'   (\pi \ra \pi^*)$	&	V	&	98	&		&	5.81	&	FCI/AVDZ + [CC3/AVTZ - CCS3/AVDZ]	&	Y	\\
+229	&	Formylfluoride	&	$^1A''    (n \ra \pi^*)$	&	V	&	91	&		&	5.96	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+230	&		&	$^3A" (n \ra \pi^*)$	&	V	&	98	&	0.001	&	5.63	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+231	&	Furan	&	$^1A_2   (\pi \ra 3s)$	&	R	&	93	&		&	6.09	&	CCSDT/AVTZ	&	Y	\\
+232	&		&	$^1B_2   (\pi \ra \pi^*)$	&	V	&	93	&	0.163	&	6.37	&	CCSDT/AVTZ	&	Y	\\
+233	&		&	$^1A_1    (\pi \ra \pi^*)$	&	V	&	92	&	0.	&	6.56	&	CCSDT/AVTZ	&	Y	\\
+234	&		&	$^1B_1    (\pi \ra 3p)$	&	R	&	93	&	0.038	&	6.64	&	CCSDT/AVTZ	&	Y	\\
+235	&		&	$^1A_2    (\pi \ra 3p)$	&	R	&	93	&		&	6.81	&	CCSDT/AVTZ	&	Y	\\
+236	&		&	$^1B_2   (\pi \ra 3p)$	&	R	&	93	&	0.007	&	7.24	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+237	&		&	$^3B_2   (\pi \ra \pi^*)$	&	V	&	98	&		&	4.2	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+238	&		&	$^3A_1   (\pi \ra \pi^*)$	&	V	&	98	&		&	5.46	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+239	&		&	$^3A_2   (\pi \ra 3s)$	&	R	&	97	&		&	6.02	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+240	&		&	$^3B_1   (\pi \ra 3p)$	&	R	&	97	&		&	6.59	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+241	&	Glyoxal	&	$^1A_u   (n \ra \pi^*)$	&	V	&	91	&	0.	&	2.88	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+242	&		&	$^1B_g   (n \ra \pi^*)$	&	V	&	88	&		&	4.24	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+243	&		&	$^1A_g (\text{double})$	&	V	&	0	&	0.	&	5.61	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+244	&		&	$^1B_g    (n \ra \pi^*)$	&	V	&	83	&		&	6.57	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+245	&		&	$^1B_u    (n \ra 3p)$	&	R	&	91	&	0.095	&	7.71	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+246	&		&	$^3A_u   (n \ra \pi^*)$	&	V	&	97	&		&	2.49	&	CCSDT/AVTZ	&	Y	\\
+247	&		&	$^3B_g   (n \ra \pi^*)$	&	V	&	97	&		&	3.89	&	CCSDT/AVTZ	&	Y	\\
+248	&		&	$^3B_u   (\pi \ra \pi^*)$	&	V	&	98	&		&	5.15	&	CCSDT/AVTZ	&	Y	\\
+249	&		&	$^3A_g   (\pi \ra \pi^*)$	&	V	&	98	&		&	6.3	&	CCSDT/AVTZ	&	Y	\\
+250	&	HCCl	&	$^1A" (\si \ra \pi)$	&	V	&	94	&	0.003	&	1.98	&	FCI/AVTZ	&	Y	\\
+251	&	HCF	&	$^1A" (\si \ra \pi)$	&	V	&	95	&	0.006	&	2.49	&	FCI/AVTZ	&	Y	\\
+252	&	HCP	&	$^1\Sigma^-   (\pi \ra \pi^*)$	&	V	&	94	&		&	4.84	&	FCI/AVTZ	&	Y	\\
+253	&		&	$^1\Delta (\pi \ra \pi^*)$	&	V	&	94	&		&	5.15	&	FCI/AVTZ	&	Y	\\
+254	&		&	$^3\Sigma^+   (\pi \ra \pi^*)$	&	V	&	98	&		&	3.47	&	FCI/AVTZ	&	Y	\\
+255	&		&	$^3\Delta (\pi \ra \pi^*)$	&	V	&	98	&		&	4.22	&	FCI/AVTZ	&	Y	\\
+256	&	Hexatriene	&	$^1B_u    (\pi \ra \pi^*)$	&	V	&	92	&	1.115	&	5.37	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+257	&		&	$^1A_g  (\pi \ra \pi^*)$	&	V	&	65	&		&	5.62	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	N	\\
+258	&		&	$^1A_u    (\pi \ra 3s)$	&	R	&	93	&	0.009	&	5.79	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+259	&		&	$^1B_g  (\pi \ra 3p)$	&	R	&	93	&		&	5.94	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+260	&		&	$^3B_u    (\pi \ra \pi^*)$	&	V	&	97	&		&	2.73	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+261	&		&	$^3A_g  (\pi \ra \pi^*)$	&	V	&	98	&		&	4.36	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+262	&	HPO	&	$^1A''  (n \ra \pi^*)$	&	V	&	90	&	0.003	&	2.47	&	FCI/AVTZ	&	Y	\\
+263	&	HPS	&	$^1A''  (n \ra \pi^*)$	&	V	&	90	&	0.001	&	1.59	&	FCI/AVTZ	&	Y	\\
+264	&	HSiF	&	$^1A''  (\si \ra \pi)$	&	V	&	93	&	0.024	&	3.05	&	FCI/AVTZ	&	Y	\\
+265	&	Hydrogen chloride 	&	$^1\Pi   (CT)$	&	CT	&	94	&	0.056	&	7.84	&	FCI/AVTZ	&	Y	\\
+266	&	Hydrogen sulfide  	&	$^1A_2   (n \ra 3p)$	&	R	&	94	&		&	6.18	&	FCI/AVTZ	&	Y	\\
+267	&	                              	&	$^1B_1   (n \ra 3p)$	&	R	&	94	&	0.063	&	6.24	&	FCI/AVTZ	&	Y	\\
+268	&	                              	&	$^3A_2   (n \ra 3p)$	&	R	&	98	&		&	5.81	&	FCI/AVTZ	&	Y	\\
+269	&	                              	&	$^3B_1   (n \ra 3p)$	&	R	&	98	&		&	5.88	&	FCI/AVTZ	&	Y	\\
+270	&	Imidazole	&	$^1A''   (\pi \ra 3s)$	&	R	&	93	&	0.001	&	5.71	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+271	&		&	$^1A'   (\pi \ra \pi^*)$	&	V	&	89	&	0.124	&	6.41	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+272	&		&	$^1A''   (n \ra \pi^*)$	&	V	&	93	&	0.028	&	6.5	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+273	&		&	$^1A'   (\pi \ra 3p)$	&	R	&	88	&	0.035	&	6.83	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	N	\\
+274	&		&	$^3A'   (\pi \ra \pi^*)$	&	V	&	98	&		&	4.73	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+275	&		&	$^3A''   (\pi \ra 3s)$	&	R	&	97	&		&	5.66	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+276	&		&	$^3A'   (\pi \ra \pi^*)$	&	V	&	97	&		&	5.74	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+277	&		&	$^3A''   (n \ra \pi^*)$	&	V	&	97	&		&	6.31	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+278	&	Isobutene	&	$^1B_1   (\pi \ra 3s)$	&	R	&	94	&	0.006	&	6.46	&	CCSDT/AVTZ	&	Y	\\
+279	&		&	$^1A_1   (\pi \ra 3p)$	&	R	&	94	&	0.228	&	7.01	&	CCSDT/AVTZ	&	Y	\\
+280	&		&	$^3A_1   (\pi \ra \pi^*)$	&	V	&	98	&		&	4.53	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+281	&	Ketene 	&	$^1A_2   (\pi \ra \pi^*)$	&	V	&	91	&		&	3.86	&	FCI/AVTZ	&	Y	\\
+282	&	                              	&	$^1B_1   (n \ra 3s)$	&	R	&	93	&	0.035	&	6.01	&	FCI/AVTZ	&	Y	\\
+283	&		&	$^1A_1 (\pi \ra \pi^*)$	&	V	&	92	&	0.154	&	7.25	&	CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+284	&	                              	&	$^1A_2   (\pi \ra 3p)$	&	R	&	94	&		&	7.18	&	FCI/AVTZ	&	Y	\\
+285	&	                              	&	$^3A_2   (n \ra \pi^*)$	&	V	&	91	&		&	3.77	&	FCI/AVTZ	&	Y	\\
+286	&	                              	&	$^3A_1   (\pi \ra \pi^*)$	&	V	&	98	&		&	5.61	&	FCI/AVTZ	&	Y	\\
+287	&	                              	&	$^3B_1   (n \ra 3p)$	&	R	&	98	&		&	5.79	&	FCI/AVTZ	&	Y	\\
+288	&	                              	&	$^3A_2   (\pi \ra 3p)$	&	R	&	94	&		&	7.12	&	FCI/AVTZ	&	Y	\\
+289	&	                              	&	$^1A^" [F]  (\pi \ra \pi^*)$	&	V	&	87	&	0.	&	1.	&	FCI/AVTZ	&	Y	\\
+290	&	Maleimide	&	$^1B_1    (n \ra \pi^*)$	&	V	&	87	&	0.	&	3.8	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+291	&		&	$^1A_2 (n \ra \pi^*)$	&	V	&	85	&		&	4.52	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+292	&		&	$^1B_2    (\pi \ra \pi^*)$	&	V	&	88	&	0.025	&	4.89	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+293	&		&	$^1B_2    (\pi \ra \pi^*)$	&	V	&	89	&	0.373	&	6.21	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+294	&		&	$^1B_2    (n \ra 3s)$	&	R	&	89	&	0.034	&	7.2	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+295	&		&	$^3B_1    (n \ra \pi^*)$	&	V	&	96	&		&	3.57	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+296	&		&	$^3B_2   (\pi \ra \pi^*)$	&	V	&	98	&		&	3.74	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+297	&		&	$^3B_2   (\pi \ra \pi^*)$	&	V	&	96	&		&	4.24	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+298	&		&	$^3A_2 (n \ra \pi^*)$	&	V	&	96	&		&	4.32	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+299	&	Methanimine 	&	$^1A^"   (n \ra \pi^*)$	&	V	&	90	&	0.003	&	5.23	&	FCI/AVTZ	&	Y	\\
+300	&	                              	&	$^3A^"   (n \ra \pi^*)$	&	V	&	98	&		&	4.65	&	FCI/AVTZ	&	Y	\\
+301	&	Methylenecyclopropene	&	$^1B_2   (\pi \ra \pi^*)$	&	V	&	85	&	0.011	&	4.28	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+302	&		&	$^1B_1   (\pi \ra 3s)$	&	R	&	93	&	0.005	&	5.44	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+303	&		&	$^1A_2   (\pi \ra 3p)$	&	R	&	93	&		&	5.96	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+304	&		&	$^1A_1  (\pi \ra \pi^*)$	&	V	&	92	&	0.224	&	6.12	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	N	\\
+305	&		&	$^3B_2   (\pi \ra \pi^*)$	&	V	&	97	&		&	3.49	&	CCSDT/AVTZ	&	Y	\\
+306	&		&	$^3A_1  (\pi \ra \pi^*)$	&	V	&	98	&		&	4.74	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+307	&	Naphthalene	&	$^1B_{3u}    (\pi \ra \pi^*)$	&	V	&	85	&	0.	&	4.27	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+308	&		&	$^1B_{2u}    (\pi \ra \pi^*)$	&	V	&	90	&	0.067	&	4.9	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+309	&		&	$^1A_u (\pi \ra 3s)$	&	R	&	92	&		&	5.65	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+310	&		&	$^1B_{1g}    (\pi \ra \pi^*)$	&	V	&	84	&		&	5.84	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+311	&		&	$^1A_g (\pi \ra \pi^*)$	&	V	&	83	&		&	5.89	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	N	\\
+312	&		&	$^1B_{3g}    (\pi \ra 3p)$	&	R	&	92	&		&	6.07	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+313	&		&	$^1B_{2g}    (\pi \ra 3p)$	&	R	&	92	&		&	6.09	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+314	&		&	$^1B_{3u}    (\pi \ra \pi^*)$	&	V	&	90	&	---	&	6.19	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	N	\\
+315	&		&	$^1B_{1u}    (\pi \ra 3s)$	&	R	&	91	&	---	&	6.33	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+316	&		&	$^1B_{2u}    (\pi \ra \pi^*)$	&	V	&	90	&	---	&	6.42	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+317	&		&	$^1B_{1g}    (\pi \ra \pi^*)$	&	V	&	87	&		&	6.48	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+318	&		&	$^1A_g (\pi \ra \pi^*)$	&	V	&	71	&		&	6.87	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+319	&		&	$^3B_{2u}    (\pi \ra \pi^*)$	&	V	&	97	&		&	3.17	&	CC3/AVTZ	&	N	\\
+320	&		&	$^3B_{3u}    (\pi \ra \pi^*)$	&	V	&	96	&		&	4.16	&	CC3/AVTZ	&	N	\\
+321	&		&	$^3B_{1g}    (\pi \ra \pi^*)$	&	V	&	97	&		&	4.48	&	CC3/AVTZ	&	N	\\
+322	&		&	$^3B_{2u}    (\pi \ra \pi^*)$	&	V	&	96	&		&	4.64	&	CC3/AVTZ	&	N	\\
+323	&		&	$^3B_{3u}    (\pi \ra \pi^*)$	&	V	&	97	&		&	4.95	&	CC3/AVTZ	&	N	\\
+324	&		&	$^3A_g (\pi \ra \pi^*)$	&	V	&	97	&		&	5.49	&	CC3/AVTZ	&	N	\\
+325	&		&	$^3B_{1g}    (\pi \ra \pi^*)$	&	V	&	95	&		&	6.17	&	CC3/AVTZ	&	N	\\
+326	&		&	$^3A_g (\pi \ra \pi^*)$	&	V	&	95	&		&	6.39	&	CC3/AVTZ	&	N	\\
+327	&	Nitrosomethane 	&	$^1A''    (n \ra \pi^*)$	&	V	&	93	&	0.	&	1.96	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+328	&		&	$^1A'    (\text{double})$	&	V	&	2	&	0.	&	4.72	&	FCI/AVTZ	&	Y	\\
+329	&	                              	&	$^1A'    ()$	&	R	&	90	&	0.006	&	6.4	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+330	&	                              	&	$^3A''    (n \ra \pi^*)$	&	V	&	98	&		&	1.16	&	FCI/AVTZ	&	Y	\\
+331	&	                              	&	$^3A'    (\pi \ra \pi^*)$	&	V	&	98	&		&	5.6	&	FCI/AVTZ	&	Y	\\
+332	&	                              	&	$^1A''  [F] (n \ra \pi^*)$	&	V	&	92	&	0.	&	1.67	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+333	&	Nitroxyl (HNO)	&	$^1A''    (n \ra \pi^*)$	&	V	&	93	&	0.	&	1.74	&	FCI/AVTZ	&	Y	\\
+334	&		&	$^1A'    (\text{double})$	&	V	&	0	&	0.	&	4.33	&	FCI/AVTZ	&	Y	\\
+335	&		&	$^1A'    ()$	&	R	&	92	&	0.038	&	6.27	&	CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+336	&		&	$^3A''    (n \ra \pi^*)$	&	V	&	99	&		&	0.88	&	FCI/AVTZ	&	Y	\\
+337	&		&	$^3A'    (\pi \ra \pi^*)$	&	V	&	98	&		&	5.61	&	FCI/AVTZ	&	Y	\\
+338	&	Octatetraene	&	$^1B_u    (\pi \ra \pi^*)$	&	V	&	91	&		&	4.78	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+339	&		&	$^1A_g (\pi \ra \pi^*)$	&	V	&	63	&		&	4.9	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	N	\\
+340	&		&	$^3B_u (\pi \ra \pi^*)$	&	V	&	97	&		&	2.36	&	CC3/AVTZ	&	N	\\
+341	&		&	$^3A_g (\pi \ra \pi^*)$	&	V	&	98	&		&	3.73	&	CC3/AVTZ	&	N	\\
+342	&	Propynal	&	$ ^1A''   (n \ra \pi^*)$	&	V	&	89	&	0.	&	3.8	&	CCSDT/AVTZ	&	Y	\\
+343	&		&	$^1A''   (\pi \ra \pi^*)$	&	V	&	92	&	0.	&	5.54	&	CCSDT/AVTZ	&	Y	\\
+344	&		&	$^3A''   (n \ra \pi^*)$	&	V	&	97	&		&	3.47	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+345	&		&	$^3A'   (\pi \ra \pi^*)$	&	V	&	98	&		&	4.47	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+346	&	Pyrazine	&	$^1B_{3u}    (n \ra \pi^*)$	&	V	&	90	&	0.006	&	4.15	&	CCSDT/AVTZ	&	Y	\\
+347	&		&	$^1A_u    (n \ra \pi^*)$	&	V	&	88	&		&	4.98	&	CCSDT/AVTZ	&	Y	\\
+348	&		&	$^1B_{2u}    (\pi \ra \pi^*)$	&	V	&	86	&	0.078	&	5.02	&	CCSDT/AVTZ	&	Y	\\
+349	&		&	$^1B_{2g}    (n \ra \pi^*)$	&	V	&	85	&		&	5.71	&	CCSDT/AVTZ	&	Y	\\
+350	&		&	$^1A_g    (n \ra 3s)$	&	R	&	91	&		&	6.65	&	CCSDT/AVTZ	&	Y	\\
+351	&		&	$^1B_{1g}    (n \ra \pi^*)$	&	V	&	84	&		&	6.74	&	CCSDT/AVTZ	&	Y	\\
+352	&		&	$^1B_{1u}    (\pi \ra \pi^*)$	&	V	&	92	&	0.063	&	6.88	&	CCSDT/AVTZ	&	Y	\\
+353	&		&	$^1B_{1g}    (\pi \ra 3s)$	&	R	&	93	&		&	7.21	&	CCSDT/AVTZ	&	Y	\\
+354	&		&	$^1B_{2u}    (n \ra 3p)$	&	R	&	90	&	0.037	&	7.24	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+355	&		&	$^1B_{1u}    (n \ra 3p)$	&	R	&	91	&	0.128	&	7.44	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+356	&		&	$^1B_{1u}    (\pi \ra \pi^*)$	&	V	&	90	&	0.285	&	7.98	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	N	\\
+357	&		&	$^3B_{3u}    (n \ra \pi^*)$	&	V	&	97	&		&	3.59	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+358	&		&	$^3B_{1u}    (\pi \ra \pi^*)$	&	V	&	98	&		&	4.35	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+359	&		&	$^3B_{2u}    (\pi \ra \pi^*)$	&	V	&	97	&		&	4.39	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+360	&		&	$^3A_u    (n \ra \pi^*)$	&	V	&	96	&		&	4.93	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+361	&		&	$^3B_{2g}    (n \ra \pi^*)$	&	V	&	97	&		&	5.08	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+362	&		&	$^3B_{1u}    (\pi \ra \pi^*)$	&	V	&	97	&		&	5.28	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+363	&	Pyridazine	&	$^1B_1   (n \ra \pi^*)$	&	V	&	89	&	0.005	&	3.83	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+364	&		&	$^1A_2   (n \ra \pi^*)$	&	V	&	86	&		&	4.37	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+365	&		&	$^1A_1  (\pi \ra \pi^*)$	&	V	&	85	&	0.016	&	5.26	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+366	&		&	$^1A_2   (n \ra \pi^*)$	&	V	&	86	&		&	5.72	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+367	&		&	$^1B_2    (n \ra 3s)$	&	R	&	88	&	0.001	&	6.17	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+368	&		&	$^1B_1   (n \ra \pi^*)$	&	V	&	87	&	0.004	&	6.37	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+369	&		&	$^1B_2   (\pi \ra \pi^*)$	&	V	&	90	&	0.01	&	6.75	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+370	&		&	$^3B_1    (n \ra \pi^*)$	&	V	&	97	&		&	3.19	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+371	&		&	$^3A_2    (n \ra \pi^*)$	&	V	&	96	&		&	4.11	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+372	&		&	$^3B_2   (\pi \ra \pi^*)$	&	V	&	98	&		&	4.34	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	N	\\
+373	&		&	$^3A_1   (\pi \ra \pi^*)$	&	V	&	97	&		&	4.82	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+374	&	Pyridine	&	$^1B_1   (n \ra \pi^*)$	&	V	&	88	&	0.004	&	4.95	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+375	&		&	$^1B_2   (\pi \ra \pi^*)$	&	V	&	86	&	0.028	&	5.14	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+376	&		&	$^1A_2   (n \ra \pi^*)$	&	V	&	87	&		&	5.4	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+377	&		&	$^1A_1   (\pi \ra \pi^*)$	&	V	&	92	&	0.01	&	6.62	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+378	&		&	$^1A_1   (n \ra 3s)$	&	R	&	89	&	0.011	&	6.76	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+379	&		&	$^1A_2   (\pi \ra 3s)$	&	R	&	93	&		&	6.82	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+380	&		&	$^1B_1    (\pi \ra 3p)$	&	R	&	93	&	0.045	&	7.38	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+381	&		&	$^1A_1   (\pi \ra \pi^*)$	&	V	&	90	&	0.291	&	7.39	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+382	&		&	$^1B_2   (\pi \ra \pi^*)$	&	V	&	90	&	0.319	&	7.4	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	N	\\
+383	&		&	$^3A_1   (\pi \ra \pi^*)$	&	V	&	98	&		&	4.3	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+384	&		&	$^3B_1   (n \ra \pi^*)$	&	V	&	97	&		&	4.46	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+385	&		&	$^3B_2   (\pi \ra \pi^*)$	&	V	&	97	&		&	4.79	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+386	&		&	$^3A_1   (\pi \ra \pi^*)$	&	V	&	97	&		&	5.04	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+387	&		&	$^3A_2   (n \ra \pi^*)$	&	V	&	95	&		&	5.36	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+388	&		&	$^3B_2   (\pi \ra \pi^*)$	&	V	&	97	&		&	6.24	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+389	&	Pyrimidine	&	$^1B_1   (n \ra \pi^*)$	&	V	&	88	&	0.005	&	4.44	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+390	&		&	$^1A_2    (n \ra \pi^*)$	&	V	&	88	&		&	4.85	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+391	&		&	$^1B_2    (\pi \ra \pi^*)$	&	V	&	86	&	0.028	&	5.38	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+392	&		&	$^1A_2    (n \ra \pi^*)$	&	V	&	86	&		&	5.92	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+393	&		&	$^1B_1   (n \ra \pi^*)$	&	V	&	86	&	0.005	&	6.26	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+394	&		&	$^1B_2   (n \ra 3s)$	&	R	&	90	&	0.005	&	6.7	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+395	&		&	$^1A_1   (\pi \ra \pi^*)$	&	V	&	91	&	0.036	&	6.88	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+396	&		&	$^3B_1   (n \ra \pi^*)$	&	V	&	96	&		&	4.09	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+397	&		&	$^3A_1   (\pi \ra \pi^*)$	&	V	&	98	&		&	4.51	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	N	\\
+398	&		&	$^3A_2   (n \ra \pi^*)$	&	V	&	96	&		&	4.66	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+399	&		&	$^3B_2   (\pi \ra \pi^*)$	&	V	&	97	&		&	4.96	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+400	&	Pyrrole	&	$^1A_2   (\pi \ra 3s)$	&	R	&	92	&		&	5.24	&	CCSDT/AVTZ	&	Y	\\
+401	&		&	$^1B_1    (\pi \ra 3p)$	&	R	&	92	&	0.015	&	6.	&	CCSDT/AVTZ	&	Y	\\
+402	&		&	$^1A_2    (\pi \ra 3p)$	&	R	&	93	&		&	6.	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+403	&		&	$^1B_2    (\pi \ra \pi^*)$	&	V	&	92	&	0.164	&	6.26	&	CCSDT/AVTZ	&	Y	\\
+404	&		&	$^1A_1   (\pi \ra \pi^*)$	&	V	&	86	&	0.001	&	6.3	&	CCSDT/AVTZ	&	Y	\\
+405	&		&	$^1B_2   (\pi \ra 3p)$	&	R	&	92	&	0.003	&	6.83	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+406	&		&	$^3B_2   (\pi \ra \pi^*)$	&	V	&	98	&		&	4.51	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+407	&		&	$^3A_2   (\pi \ra 3s)$	&	R	&	97	&		&	5.21	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+408	&		&	$^3A_1   (\pi \ra \pi^*)$	&	V	&	97	&		&	5.45	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+409	&		&	$^3B_1   (\pi \ra 3p)$	&	R	&	97	&		&	5.91	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+410	&	SiCl2	&	$^1B_1 (\si \ra \pi)$	&	V	&	92	&	0.031	&	3.91	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+411	&		&	$^3B_1 (\si \ra \pi)$	&	V	&	98	&		&	2.48	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+412	&	Silylidene	&	$^1A_2 ()$	&	R	&	92	&		&	2.11	&	FCI/AVTZ	&	Y	\\
+413	&		&	$^1B_2    ()$	&	R	&	88	&	0.033	&	3.78	&	FCI/AVTZ	&	Y	\\
+414	&	Streptocyanine-1	&	$^1B_2    (\pi \ra \pi^*)$	&	V	&	88	&	0.347	&	7.13	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+415	&	                              	&	$^3B_2    (\pi \ra \pi^*)$	&	V	&	98	&		&	5.52	&	FCI/AVTZ	&	Y	\\
+416	&	Streptocyanine-3	&	$^1B_2    (\pi \ra \pi^*)$	&	V	&	87	&	0.755	&	4.82	&	FCI/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+417	&		&	$^3B_2    (\pi \ra \pi^*)$	&	V	&	98	&		&	3.44	&	FCI/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+418	&	Streptocyanine-5	&	$^1B_2    (\pi \ra \pi^*)$	&	V	&	85	&	1.182	&	3.64	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+419	&		&	$^3B_2    (\pi \ra \pi^*)$	&	V	&	97	&		&	2.47	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+420	&	Tetrazine	&	$^1B_{3u}    (n \ra \pi^*)$	&	V	&	89	&	0.006	&	2.47	&	CCSDT/AVTZ	&	Y	\\
+421	&		&	$^1A_u    (n \ra \pi^*)$	&	V	&	87	&		&	3.69	&	CCSDT/AVTZ	&	Y	\\
+422	&		&	$^1A_g    (\text{double})$	&	V	&	0	&		&	4.61	&	NEVPT2/AVTZ	&	N	\\
+423	&		&	$^1B_{1g}    (n \ra \pi^*)$	&	V	&	83	&		&	4.93	&	CCSDT/AVTZ	&	Y	\\
+424	&		&	$^1B_{2u}    (\pi \ra \pi^*)$	&	V	&	85	&	0.055	&	5.21	&	CCSDT/AVTZ	&	Y	\\
+425	&		&	$^1B_{2g}    (n \ra \pi^*)$	&	V	&	81	&		&	5.45	&	CCSDT/AVTZ	&	Y	\\
+426	&		&	$^1A_u    (n \ra \pi^*)$	&	V	&	87	&		&	5.53	&	CCSDT/AVTZ	&	Y	\\
+427	&		&	$^1B_{3g}    (\text{double})$	&	V	&	0	&		&	6.15	&	NEVPT2/AVTZ	&	N	\\
+428	&		&	$^1B_{2g}   (n \ra \pi^*)$	&	V	&	80	&		&	6.12	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+429	&		&	$^1B_{1g}    (n \ra \pi^*)$	&	V	&	85	&		&	6.91	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+430	&		&	$^3B_{3u}    (n \ra \pi^*)$	&	V	&	97	&		&	1.85	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+431	&		&	$^3A_u    (n \ra \pi^*)$	&	V	&	96	&		&	3.45	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+432	&		&	$^3B_{1g}    (n \ra \pi^*)$	&	V	&	97	&		&	4.2	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+433	&		&	$^1B_{1u}    (\pi \ra \pi^*)$	&	V	&	98	&		&	4.49	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	N	\\
+434	&		&	$^3B_{2u}    (\pi \ra \pi^*)$	&	V	&	97	&		&	4.52	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+435	&		&	$^3B_{2g}    (n \ra \pi^*)$	&	V	&	96	&		&	5.04	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+436	&		&	$^3A_u    (n \ra \pi^*)$	&	V	&	96	&		&	5.11	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+437	&		&	$^3B_{3g}    (\text{double})$	&	V	&	5	&		&	5.51	&	NEVPT2/AVTZ	&	N	\\
+438	&		&	$^3B_{1u}    (\pi \ra \pi^*)$	&	V	&	96	&		&	5.42	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+439	&	Thioacetone	&	$^1A_2   (n \ra \pi^*)$	&	V	&	88	&		&	2.53	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+440	&		&	$^1B_2   (n \ra 3s)$	&	R	&	91	&	0.052	&	5.56	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+441	&		&	$^1A_1    (\pi \ra \pi^*)$	&	V	&	90	&	0.242	&	5.88	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+442	&		&	$^1B_2    (n \ra 3p)$	&	R	&	92	&	0.028	&	6.51	&	CCSDTQ/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+443	&		&	$^1A_1    (n \ra 3p)$	&	R	&	91	&	0.023	&	6.61	&	CCSDTQ/6-31+G(d) + [CCSDT/AVTZ - CCSDT/6-31+G(d)]	&	Y	\\
+444	&		&	$^3A_2   (n \ra \pi^*)$	&	V	&	97	&		&	2.33	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+445	&		&	$^3A_1   (\pi \ra \pi^*)$	&	V	&	98	&		&	3.45	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+446	&	Thioacrolein	&	$^1A''    (n \ra \pi^*)$	&	V	&	86	&	0.	&	2.11	&	CCSDT/AVTZ	&	Y	\\
+447	&		&	$^3A''    (n \ra \pi^*)$	&	V	&	96	&		&	1.91	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+448	&	Thioformaldehyde 	&	$^1A_2    (n \ra \pi^*)$	&	V	&	89	&		&	2.22	&	FCI/AVTZ	&	Y	\\
+449	&	                              	&	$^1B_2    (n \ra 3s)$	&	R	&	92	&	0.012	&	5.96	&	FCI/AVTZ	&	Y	\\
+450	&	                              	&	$^1A_1    (\pi \ra \pi^*)$	&	V	&	90	&	0.178	&	6.38	&	CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+451	&	                              	&	$^3A_2    (n \ra \pi^*)$	&	V	&	97	&		&	1.94	&	FCI/AVTZ	&	Y	\\
+452	&	                              	&	$^3A_1    (\pi \ra \pi^*)$	&	V	&	98	&		&	3.43	&	FCI/AVTZ	&	Y	\\
+453	&	                              	&	$^3B_2    (n \ra 3s)$	&	R	&	97	&		&	5.72	&	FCI/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
+454	&	                              	&	$^1A_2 [F]    (n \ra \pi^*)$	&	V	&	87	&		&	1.95	&	FCI/AVTZ	&	Y	\\
+455	&	Thiophene	&	$^1A_1   (\pi \ra \pi^*)$	&	V	&	87	&	0.07	&	5.64	&	CCSDT/AVTZ	&	Y	\\
+456	&		&	$^1B_2   (\pi \ra \pi^*)$	&	V	&	91	&	0.079	&	5.98	&	CCSDT/AVTZ	&	Y	\\
+457	&		&	$^1A_2   (\pi \ra 3s)$	&	R	&	92	&		&	6.14	&	CCSDT/AVTZ	&	Y	\\
+458	&		&	$^1B_1   (\pi \ra 3p)$	&	R	&	90	&	0.01	&	6.14	&	CCSDT/AVTZ	&	Y	\\
+459	&		&	$^1A_2   (\pi \ra 3p)$	&	R	&	91	&		&	6.21	&	CCSDT/AVTZ	&	Y	\\
+460	&		&	$^1B_1    (\pi \ra 3s)$	&	R	&	92	&	0.	&	6.49	&	CCSDT/AVTZ	&	Y	\\
+461	&		&	$^1B_2    (\pi \ra 3p)$	&	R	&	92	&	0.082	&	7.29	&	CCSDT/AVTZ	&	Y	\\
+462	&		&	$^1A_1   (\pi \ra \pi^*)$	&	V	&	86	&	0.314	&	7.31	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	N	\\
+463	&		&	$^3B_2   (\pi \ra \pi^*)$	&	V	&	98	&		&	3.92	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+464	&		&	$^3A_1   (\pi \ra \pi^*)$	&	V	&	97	&		&	4.76	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+465	&		&	$^3B_1   (\pi \ra 3p)$	&	R	&	96	&		&	5.93	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+466	&		&	$^3A_2   (\pi \ra 3s)$	&	R	&	97	&		&	6.08	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+467	&	Thiopropynal	&	$^1A''    (n \ra \pi^*)$	&	V	&	87	&	0.	&	2.03	&	CCSDT/AVTZ	&	Y	\\
+468	&		&	$^3A''     (n \ra \pi^*)$	&	V	&	97	&		&	1.8	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+469	&	Triazine	&	$^1A_1''   (n \ra \pi^*)$	&	V	&	88	&		&	4.72	&	CCSDT/AVTZ	&	Y	\\
+470	&		&	$^1A_2''   (n \ra \pi^*)$	&	V	&	88	&	0.014	&	4.75	&	CCSDT/AVTZ	&	Y	\\
+471	&		&	$^1E''   (n \ra \pi^*)$	&	V	&	88	&		&	4.78	&	CCSDT/AVTZ	&	Y	\\
+472	&		&	$^1A_2'   (\pi \ra \pi^*)$	&	V	&	85	&		&	5.75	&	CCSDT/AVTZ	&	Y	\\
+473	&		&	$^1A_1'   (\pi \ra \pi^*)$	&	V	&	90	&		&	7.24	&	CCSDT/AVTZ	&	Y	\\
+474	&		&	$^1E'   (n \ra 3s)$	&	R	&	90	&	0.016	&	7.32	&	CCSDT/AVTZ	&	Y	\\
+475	&		&	$^1E''   (n \ra \pi^*)$	&	V	&	82	&		&	7.78	&	CCSDT/AVTZ	&	Y	\\
+476	&		&	$^1E'   (\pi \ra \pi^*)$	&	V	&	90	&	0.451	&	7.94	&	CCSDT/AVTZ	&	Y	\\
+477	&		&	$^3A_2''   (n \ra \pi^*)$	&	V	&	96	&		&	4.33	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+478	&		&	$^3E''   (n \ra \pi^*)$	&	V	&	96	&		&	4.51	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+479	&		&	$^3A_1''   (n \ra \pi^*)$	&	V	&	96	&		&	4.73	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+480	&		&	$^3A_1'   (\pi \ra \pi^*)$	&	V	&	98	&		&	4.85	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+481	&		&	$^3E'   (\pi \ra \pi^*)$	&	V	&	96	&		&	5.59	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+482	&		&	$^3A_2'   (\pi \ra \pi^*)$	&	V	&	97	&		&	6.62	&	CCSDT/AVDZ + [CC3/AVTZ - CC3/AVDZ]	&	Y	\\
+483	&	Water 	&	$^1B_1    (n \ra 3s)$	&	R	&	93	&	0.054	&	7.62	&	FCI/AVTZ	&	Y	\\
+484	&	                              	&	$^1A_2    (n \ra 3p)$	&	R	&	93	&		&	9.41	&	FCI/AVTZ	&	Y	\\
+485	&	                              	&	$^1A_1    (n \ra 3s)$	&	R	&	93	&	0.1	&	9.99	&	FCI/AVTZ	&	Y	\\
+486	&	                              	&	$^3B_1    (n \ra 3s)$	&	R	&	98	&		&	7.25	&	FCI/AVTZ	&	Y	\\
+\end{longtable}
+\end{ThreePartTable}
 
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \section{Benchmarks}
@@ -650,10 +1046,14 @@ Additionally, we also provide a specific analysis for each type of excited state
 Hence, the statistical values are reported for various types of excited states and molecular sizes for the MSE and MAE.
 The distribution of the errors in vertical excitation energies (with respect to the TBE/aug-cc-pVTZ reference values) are represented in Fig.~\ref{fig:QUEST_stat} for all the single excitations of the entire QUEST database.
 
+%En SI au moins des histogrammes pour ttes les approches.
+% Un graphe avec les MAE en finctions ds subsets pour une m�me m�thode, surement por la taille.
+
 \begin{sidewaystable}
 \scriptsize
 \centering
 \caption{Mean signed error (MSE), mean absolute error (MAE), root-mean-square error (RMSE), standard deviation of the errors (SDE), as well as the maximum positive [Max(+)] and negative [Max($-$)] errors with respect to the TBE/aug-cc-pVTZ for the entire QUEST database.
+Only the ``safe'' TBEs are considered (see Table \ref{tab:TBE}).
 For the MSE and MAE, the statistical values are reported for various types of excited states and molecular sizes.
 All quantities are given in eV. ``Count'' refers to the number of transitions considered for each method.}
 \label{tab:stat}
@@ -699,10 +1099,12 @@ MAE			&				& 0.22	& 0.16	& 0.22	& 0.11	& 0.12	& 0.05	& 0.04	& 0.02	& 0.20	& 0.22
 \end{sidewaystable}
 
 \begin{figure}
-	\includegraphics[width=\textwidth]{QUEST_stat}
-	\caption{Error (in eV) in excitation energies (with respect to TBE/aug-cc-pVTZ values) for various methods for the single excitations of the entire QUEST database.
-	The boxes contain the data between first and third quartiles, and the line in the box represents the median. 
-	The outliers are shown as dots.
+	\includegraphics[width=\textwidth]{histograms}
+	\caption{Distribution of the error (in eV) in excitation energies (with respect to TBE/aug-cc-pVTZ values) for various methods for the entire QUEST database.
+	Only the ``safe'' TBEs are considered (see Table \ref{tab:TBE}).
+	See Table \ref{tab:stat} for the values of the corresponding statistical quantities.
+%	The boxes contain the data between first and third quartiles, and the line in the box represents the median. 
+%	The outliers are shown as dots.
 	\label{fig:QUEST_stat}}
 \end{figure}
 
@@ -814,7 +1216,7 @@ Finally, the main features of the website specifically designed to gather the en
 
 Regarding future improvements and extensions, we would like to mention that although our present goal is to produce chemically accurate vertical excitation energies, we are currently devoting great efforts to obtain highly-accurate excited-state properties as such dipoles and oscillator strengths for molecules of small and medium sizes \cite{Chrayteh_2021,Sarkar_2021}.
 Reference ground-state properties (such as correlation energies and atomization energies) are also being currently produced \cite{Scemama_2020,Loos_2020f}.
-Besides this, because computing 450 (or so) excitation energies can be a costly exercise, we are planning on developing a ``diet set'' following the philosophy of the ``diet GMTKN55'' set \cite{Goerigk_2017} proposed recently by Gould \cite{Gould_2018b}.
+Besides this, because computing 450 (or so) excitation energies can be a costly exercise, we are planning on developing a ``diet set'' following the philosophy of the ``diet GMTKN55'' set proposed recently by Gould \cite{Gould_2018b}.
 We hope to report on this in the new future.
 
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%
@@ -823,7 +1225,7 @@ We hope to report on this in the new future.
 This work was performed using HPC resources from GENCI-TGCC (Grand Challenge 2019-gch0418) and from CALMIP (Toulouse) under allocation 2020-18005.
 AS, MC, and PFL thank the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (Grant agreement No.~863481) for financial support.
 Funding from the \textit{``Centre National de la Recherche Scientifique''} is also acknowledged. 
-DJ acknowledges the \textit{R\'egion des Pays de la Loire} for financial support. 
+DJ acknowledges the \textit{R\'egion des Pays de la Loire} for financial support and the CCIPL computational center for ultra-generous allocation of computational time.
 
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \section*{conflict of interest}
diff --git a/Manuscript/errors.pdf b/Manuscript/errors.pdf
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diff --git a/Manuscript/fig2.pdf b/Manuscript/fig2.pdf
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diff --git a/Manuscript/fig3.pdf b/Manuscript/fig3.pdf
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From f98b0d6fc26ace243c3c5bc1a3179f1efb2ba0a0 Mon Sep 17 00:00:00 2001
From: Pierre-Francois Loos <pierrefrancois.loos@gmail.com>
Date: Thu, 19 Nov 2020 11:53:36 +0100
Subject: [PATCH 2/4] TBE OK

---
 Data/FCI-all.xlsx          | Bin 295972 -> 295859 bytes
 Manuscript/QUESTDB.bib     | 104 +++++++++++++++++++++++++++++++++----
 Manuscript/QUEST_WIREs.tex |  92 +++++++++++++++++---------------
 Manuscript/histograms.pdf  | Bin 135777 -> 136009 bytes
 4 files changed, 142 insertions(+), 54 deletions(-)

diff --git a/Data/FCI-all.xlsx b/Data/FCI-all.xlsx
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diff --git a/Manuscript/QUESTDB.bib b/Manuscript/QUESTDB.bib
index 5b79548..3133ebe 100644
--- a/Manuscript/QUESTDB.bib
+++ b/Manuscript/QUESTDB.bib
@@ -1,13 +1,95 @@
 %% This BibTeX bibliography file was created using BibDesk.
 %% http://bibdesk.sourceforge.net/
 
-%% Created for Pierre-Francois Loos at 2020-11-18 16:27:55 +0100 
+%% Created for Pierre-Francois Loos at 2020-11-19 11:36:40 +0100 
 
 
 %% Saved with string encoding Unicode (UTF-8) 
 
 
 
+@article{Svensson_1996a,
+	author = {Svensson, Mats and Humbel, St{\'e}phane and Froese, Robert D. J. and Matsubara, Toshiaki and Sieber, Stefan and Morokuma, Keiji},
+	date-added = {2020-11-19 11:33:34 +0100},
+	date-modified = {2020-11-19 11:35:04 +0100},
+	doi = {10.1021/jp962071j},
+	eprint = {https://doi.org/10.1021/jp962071j},
+	journal = {The Journal of Physical Chemistry},
+	number = {50},
+	pages = {19357-19363},
+	title = {ONIOM: A Multilayered Integrated MO + MM Method for Geometry Optimizations and Single Point Energy Predictions. A Test for Diels-Alder Reactions and Pt(P(t-Bu)3)2 + H2 Oxidative Addition},
+	url = {https://doi.org/10.1021/jp962071j},
+	volume = {100},
+	year = {1996},
+	Bdsk-Url-1 = {https://doi.org/10.1021/jp962071j}}
+
+@article{Svensson_1996b,
+	author = {Svensson,Mats and Humbel,St{\'e}phane and Morokuma,Keiji},
+	date-added = {2020-11-19 11:33:14 +0100},
+	date-modified = {2020-11-19 11:33:49 +0100},
+	doi = {10.1063/1.472235},
+	eprint = {https://doi.org/10.1063/1.472235},
+	journal = {The Journal of Chemical Physics},
+	number = {9},
+	pages = {3654-3661},
+	title = {Energetics using the single point IMOMO (integrated molecular orbital+molecular orbital) calculations: Choices of computational levels and model system},
+	url = {https://doi.org/10.1063/1.472235},
+	volume = {105},
+	year = {1996},
+	Bdsk-Url-1 = {https://doi.org/10.1063/1.472235}}
+
+@book{Angyan_2020,
+	author = {{\'A}ngy{\'a}n, J{\'a}nos and Dobson, John and Jansen, Georg and Gould, Tim},
+	date-added = {2020-11-19 10:04:56 +0100},
+	date-modified = {2020-11-19 10:05:10 +0100},
+	doi = {10.1039/9781782623861},
+	isbn = {978-1-78262-045-7},
+	pages = {P001-434},
+	publisher = {The Royal Society of Chemistry},
+	series = {Theoretical and Computational Chemistry Series},
+	subtitle = {An Introduction to Physical Models and Computational Methods},
+	title = {London Dispersion Forces in Molecules{,} Solids and Nano-structures},
+	url = {http://dx.doi.org/10.1039/9781782623861},
+	year = {2020},
+	Bdsk-Url-1 = {http://dx.doi.org/10.1039/9781782623861}}
+
+@article{Helgaker_1989,
+	author = {Helgaker, T. and J{\o}rgensen, P. and Handy, N.C.},
+	date-added = {2020-11-19 09:59:36 +0100},
+	date-modified = {2020-11-19 09:59:43 +0100},
+	doi = {10.1007/BF00532006},
+	journal = {Theoret. Chim. Acta},
+	pages = {227--245},
+	title = {A Numerically Stable Procedure for Calculating M{\o}ller-Plesset Energy Derivatives, Derived Using the Theory of Lagrangians},
+	volume = {76},
+	year = {1989},
+	Bdsk-Url-1 = {https://doi.org/10.1007/BF00532006}}
+
+@article{Koch_1990b,
+	author = {Koch, H. and Jensen, H. J. Aa. and Jorgensen, P. and Helgaker, T.},
+	date-added = {2020-11-19 09:59:15 +0100},
+	date-modified = {2020-11-19 09:59:23 +0100},
+	journal = {J. Chem. Phys.},
+	pages = {3345--3350},
+	title = {Excitation Energies from the Coupled Cluster Singles and Doubles Linear Response Function (CCSDLR). Applications to Be, CH$^+$, CO, and H$_2$O},
+	volume = {93},
+	year = {1990}}
+
+@article{Hattig_2003,
+	author = {H{\"a}ttig, Christof},
+	date-added = {2020-11-19 09:57:39 +0100},
+	date-modified = {2020-11-19 09:57:44 +0100},
+	doi = {10.1063/1.1564061},
+	eprint = {https://doi.org/10.1063/1.1564061},
+	journal = {J. Chem. Phys.},
+	number = {17},
+	pages = {7751--7761},
+	title = {Geometry Optimizations with the Coupled-Cluster Model CC2 using the Resolution-of-the-Identity Approximation},
+	url = {https://doi.org/10.1063/1.1564061},
+	volume = {118},
+	year = {2003},
+	Bdsk-Url-1 = {https://doi.org/10.1063/1.1564061}}
+
 @article{Adamo_2013,
 	author = {Adamo, C. and Jacquemin, D.},
 	date-added = {2020-11-18 16:26:09 +0100},
@@ -207,14 +289,12 @@
 @article{Scemama_2020,
 	author = {Scemama,Anthony and Giner,Emmanuel and Benali,Anouar and Loos,Pierre-Fran{\c c}ois},
 	date-added = {2020-11-04 21:14:14 +0100},
-	date-modified = {2020-11-04 21:14:34 +0100},
+	date-modified = {2020-11-19 10:13:08 +0100},
 	doi = {10.1063/5.0026324},
-	eprint = {https://doi.org/10.1063/5.0026324},
-	journal = {The Journal of Chemical Physics},
+	journal = {J. Chem. Phys.},
 	number = {17},
 	pages = {174107},
 	title = {Taming the fixed-node error in diffusion Monte Carlo via range separation},
-	url = {https://doi.org/10.1063/5.0026324},
 	volume = {153},
 	year = {2020},
 	Bdsk-Url-1 = {https://doi.org/10.1063/5.0026324}}
@@ -1313,15 +1393,17 @@
 	year = {2018},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1039/C8CP05554H}}
 
-@misc{Benali_2020,
-	archiveprefix = {arXiv},
+@article{Benali_2020,
 	author = {Anouar Benali and Kevin Gasperich and Kenneth D. Jordan and Thomas Applencourt and Ye Luo and M. Chandler Bennett and Jaron T. Krogel and Luke Shulenburger and Paul R. C. Kent and Pierre-Fran{\c c}ois Loos and Anthony Scemama and Michel Caffarel},
 	date-added = {2020-09-04 10:00:38 +0200},
-	date-modified = {2020-09-04 10:00:48 +0200},
-	eprint = {2007.11673},
-	primaryclass = {physics.chem-ph},
+	date-modified = {2020-11-19 10:12:43 +0100},
+	doi = {10.1063/5.0021036},
+	journal = {J. Chem. Phys.},
+	pages = {184111},
 	title = {Towards a Systematic Improvement of the Fixed-Node Approximation in Diffusion Monte Carlo for Solids},
-	year = {2020}}
+	volume = {153},
+	year = {2020},
+	Bdsk-Url-1 = {https://doi.org/10.1063/5.0021036}}
 
 @article{Li_2020,
 	author = {Li, Junhao and Yao, Yuan and Holmes, Adam A. and Otten, Matthew and Sun, Qiming and Sharma, Sandeep and Umrigar, C. J.},
diff --git a/Manuscript/QUEST_WIREs.tex b/Manuscript/QUEST_WIREs.tex
index 73ff358..326c13b 100644
--- a/Manuscript/QUEST_WIREs.tex
+++ b/Manuscript/QUEST_WIREs.tex
@@ -82,16 +82,16 @@
 \maketitle
 
 \begin{abstract}
-We describe our efforts of the past few years to create a large set of more than \alert{470} highly-accurate vertical excitation energies of various natures ($\pi \to \pis$, $n \to \pis$, double excitation, Rydberg, singlet, doublet, triplet, etc) for small- and medium-sized molecules.
+We describe our efforts of the past few years to create a large set of more than 400 highly-accurate vertical excitation energies of various natures ($\pi \to \pis$, $n \to \pis$, double excitation, Rydberg, singlet, doublet, triplet, etc) for small- and medium-sized molecules.
 These values have been obtained using an incremental strategy which consists in combining high-order coupled cluster and selected configuration interaction calculations using increasingly large diffuse basis sets in order to reach high accuracy.
-One of the key aspect of the so-called QUEST database of vertical excitations is that it does not rely on any experimental values, avoiding potential biases inherently linked to experiments and facilitating  theoretical cross comparison processes
-Following a composite protocol, we have been able to produce theoretical best estimate (TBEs) with the aug-cc-pVTZ basis set, as well as basis set corrected TBEs (i.e., near the complete basis set limit) for each of these transitions.
-These TBEs have been employed to benchmark a large number of (lower-order) wave function methods such as CIS(D), ADC(2), STEOM-CCSD, CCSD, CCSDR(3), CCSDT-3, ADC(3), CC3,  NEVPT2, and others.
-In order to gather the huge number of data produced during the QUEST project, we have created a website where one can easily test and compare the accuracy of a given method with respect to various variables such as the molecule size or its family, the nature of the excited states, the size of the basis set, etc.
+One of the key aspect of the so-called QUEST database of vertical excitations is that it does not rely on any experimental values, avoiding potential biases inherently linked to experiments and facilitating  theoretical cross comparisons.
+Following a composite protocol, we have been able to produce theoretical best estimate (TBEs) with the aug-cc-pVTZ basis set for each of these transitions, as well as basis set corrected TBEs (i.e., near the complete basis set limit) for some of them.
+The TBEs/aug-cc-pVTZ have been employed to benchmark a large number of (lower-order) wave function methods such as CIS(D), ADC(2), STEOM-CCSD, CCSD, CCSDR(3), CCSDT-3, ADC(3), CC3,  NEVPT2, and others.
+In order to gather the huge number of data produced during the QUEST project, we have created a website [\url{https://github.com/mveril/QUESTDB_website}] where one can easily test and compare the accuracy of a given method with respect to various variables such as the molecule size or its family, the nature of the excited states, the size of the basis set, etc.
 %Add website address here
 We hope that the present review will provide a useful summary of our work so far and foster new developments around excited-state methods.
 % Please include a maximum of seven keywords
-\keywords{Excited states, full configuration interaction, coupled-cluster excitation energies}
+\keywords{excited states, benchmark, database, full configuration interaction, coupled cluster theory, excitation energies}
 \end{abstract}
 
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%
@@ -100,19 +100,19 @@ We hope that the present review will provide a useful summary of our work so far
 
 
 Nowadays, there exists a very large number of electronic structure computational approaches, more or less expensive depending on their overall accuracy, able to quantitatively predict the absolute and/or relative energies of electronic states in molecular systems \cite{SzaboBook,JensenBook,CramerBook,HelgakerBook}.
-One important aspect of some of these theoretical methods is their ability to access the energies of electronic excited states, i.e., states that have higher total energies than the so-called ground (that is, lowest-energy) state.
-The faithful description of excited states is particularly challenging from a theoretical point of view \cite{Roos_1996,Piecuch_2002,Dreuw_2005,Krylov_2006,Sneskov_2012,Gonzales_2012,Laurent_2013,Adamo_2013,Ghosh_2018,Blase_2020,Loos_2020a} and is key to a deeper understanding of photochemical and photophysical processes like absorption, fluorescence, phosphorescence or even chemoluminescence \cite{Bernardi_1996,Olivucci_2010,Robb_2007,Navizet_2011}.
+One important aspect of some of these theoretical methods is their ability to access the energies of electronic excited states, i.e., states that have higher total energies than the so-called ground (that is, lowest-energy) state \cite{Roos_1996,Piecuch_2002,Dreuw_2005,Krylov_2006,Sneskov_2012,Gonzales_2012,Laurent_2013,Adamo_2013,Ghosh_2018,Blase_2020,Loos_2020a}.
+The faithful description of excited states is particularly challenging from a theoretical point of view and is key to a deeper understanding of photochemical and photophysical processes like absorption, fluorescence, phosphorescence or even chemoluminescence \cite{Bernardi_1996,Olivucci_2010,Robb_2007,Navizet_2011}.
 For a given level of theory, ground-state methods are usually more accurate than their excited-state analogs.
-The reasons behind this are (at least) threefold: i) one might lack a proper variational principle for excited-state energies and one may have to rely on response theory formalisms which inherently introduce a ground-state ``bias'', iii) accurately modeling the electronic structure of excited states usually requires larger one-electron basis sets (including diffuse functions most of the times) than their ground-state counterpart, and iii) excited states can be governed by different amounts of dynamic/static correlations, present very different physical natures ($\pi \to \pis$, $n \to \pis$, charge transfer, double excitation, valence, Rydberg, singlet, doublet, triplet, etc), yet be very close in energy from one  another. 
-Hence, designing excited-state methods able to tackle simultaneously and on an equal footing all these types of excited states at an affordable cost remain an open challenge in theoretical computational chemistry \cite{Piecuch_2002,Dreuw_2005,Krylov_2006,Gonzales_2012,Ghosh_2018,Blase_2020,Loos_2020a,Eriksen_2021}.
+The reasons behind this are (at least) threefold: i) one might lack a proper variational principle for excited-state energies and one may have to rely on response theory \cite{Monkhorst_1977,Helgaker_1989,Koch_1990,Koch_1990b,Christiansen_1995b,Christiansen_1998b,Hattig_2003,Kallay_2004,Hattig_2005c} formalisms which inherently introduce a ground-state ``bias'', iii) accurately modeling the electronic structure of excited states usually requires larger one-electron basis sets (including diffuse functions most of the times) than their ground-state counterpart, and iii) excited states can be governed by different amounts of dynamic/static correlations, present very different physical natures ($\pi \to \pis$, $n \to \pis$, charge transfer, double excitation, valence, Rydberg, singlet, doublet, triplet, etc), yet be very close in energy from one  another. 
+Hence, designing excited-state methods able to tackle simultaneously and on an equal footing all these types of excited states at an affordable cost remain an open challenge in theoretical computational chemistry as evidenced by the large number of review articles on this particular subject \cite{Roos_1996,Piecuch_2002,Dreuw_2005,Krylov_2006,Sneskov_2012,Gonzales_2012,Laurent_2013,Adamo_2013,Ghosh_2018,Blase_2020,Loos_2020a}.
 
 When designing a new theoretical model, the first feature that one might want to test is its overall accuracy, i.e., its ability to reproduce reference (or benchmark) values for a given system with well-defined setup (same geometry, basis set, etc). 
-These values can be absolute or relative energies, geometrical parameters, physical or chemical spectroscopic properties extracted from experiments, high-level theoretical calculations, or any combination of these. 
+These values can be absolute and/or relative energies, geometrical parameters, physical or chemical spectroscopic properties extracted from experiments, high-level theoretical calculations, or any combination of these. 
 To this end, the electronic structure community has designed along the years benchmark sets, i.e., sets of molecules for which one could (very) accurately compute theoretical estimates and/or access solid experimental data for given properties.
 Regarding ground-states properties, two of the oldest and most employed sets are probably the Gaussian-1 and Gaussian-2 benchmark sets \cite{Pople_1989,Curtiss_1991,Curtiss_1997} developed by the group of Pople in the 1990's. 
 For example, the Gaussian-2 set gathers atomization energies, ionization energies, electron affinities, proton affinities, bond dissociation energies, and reaction barriers.
 This set was subsequently extended and refined \cite{Curtiss_1998,Curtiss_2007}. 
-Another very useful set for the design of methods able to catch dispersion effects is the S22 benchmark set \cite{Jureka_2006} (and its extended S66 version \cite{Rezac_2011}) of Hobza and collaborators which provides benchmark interaction energies for weakly-interacting (non covalent) systems.
+Another very useful set for the design of methods able to catch dispersion effects \cite{Angyan_2020} is the S22 benchmark set \cite{Jureka_2006} (and its extended S66 version \cite{Rezac_2011}) of Hobza and collaborators which provides benchmark interaction energies for weakly-interacting (non covalent) systems.
 One could also mentioned the $GW$100 set \cite{vanSetten_2015,Krause_2015,Maggio_2016} (and its $GW$5000 extension \cite{Stuke_2020}) of ionization energies which has helped enormously the community to settle on the implementation of $GW$-type methods for molecular systems \cite{vanSetten_2013,Bruneval_2016,Caruso_2016,Govoni_2018}.
 The extrapolated ab initio thermochemistry (HEAT) set designed to achieve high accuracy for enthalpies of formation of atoms and small molecules (without experimental data) is yet another successful example of benchmark set \cite{Tajti_2004,Bomble_2006,Harding_2008}.
 More recently, the benchmark datasets provided by the \textit{Simons Collaboration on the Many-Electron Problem} have been extremely valuable to the community by providing, for example, highly-accurate ground state energies for hydrogen chains \cite{Motta_2017} as well as transition metal atoms and their ions and monoxides \cite{Williams_2020}.
@@ -151,7 +151,7 @@ Their fundamental philosophy consists, roughly speaking, in retaining only the m
 Originally developed in the late 1960's by Bender and Davidson \cite{Bender_1969} as well as Whitten and Hackmeyer \cite{Whitten_1969}, new efficient SCI algorithms have resurfaced recently. 
 Four examples are adaptive sampling CI (ASCI) \cite{Tubman_2016,Tubman_2018,Tubman_2020}, iCI \cite{Liu_2014,Liu_2016,Lei_2017,Zhang_2020}, semistochastic heat-bath CI (SHCI) \cite{Holmes_2016,Holmes_2017,Sharma_2017,Li_2018,Li_2020,Yao_2020}), and \textit{Configuration Interaction using a Perturbative Selection made Iteratively} (CIPSI) \cite{Huron_1973,Giner_2013,Giner_2015,Garniron_2019}.
 These four flavors of SCI include a second-order perturbative (PT2) correction which is key to estimate the ``distance'' to the FCI solution (see below).
-The QUEST set of excitation energies relies on the CIPSI algorithm, which is, from a historical point of view, one of the oldest SCI algorithm. 
+The SCI calculations performed for the QUEST set of excitation energies relies on the CIPSI algorithm, which is, from a historical point of view, one of the oldest SCI algorithm. 
 It was developed in 1973 by Huron, Rancurel, and Malrieu \cite{Huron_1973} (see also Refs.~\cite{Evangelisti_1983,Cimiraglia_1985,Cimiraglia_1987,Illas_1988,Povill_1992}).
 Recently, the determinant-driven CIPSI algorithm has been efficiently implemented \cite{Garniron_2019} in the open-source programming environment QUANTUM PACKAGE by our group enabling to perform massively parallel computations \cite{Garniron_2017,Garniron_2018,Garniron_2019,Loos_2020e}.
 CIPSI is also frequently employed to provide accurate trial wave functions for quantum Monte Carlo calculations in molecules \cite{Caffarel_2014,Caffarel_2016a,Caffarel_2016b,Giner_2013,Giner_2015,Scemama_2015,Scemama_2016,Scemama_2018,Scemama_2018b,Scemama_2019,Dash_2018,Dash_2019,Scemama_2020} and more recently for periodic solids \cite{Benali_2020}.
@@ -161,7 +161,7 @@ The present article is organized as follows.
 In Sec.~\ref{sec:tools}, we detail the specificities of our protocol by providing computational details regarding geometries, basis sets, (reference and benchmarked) computational methods, and a new way of estimating rigorously the extrapolation error in SCI calculations which is tested by computing additional FCI values for five- and six-membered rings.
 We then describe in Sec.~\ref{sec:QUEST} the content of our five QUEST subsets providing for each of them the number of reference excitation energies, the nature and size of the molecules, the list of benchmarked methods, as well as other specificities.
 A special emphasis is placed on our latest add-on, QUEST\#5, specifically designed for the present manuscript where we have considered, in particular but not only, larger molecules.
-Section \ref{sec:TBE} discusses the generation of the TBEs, while Sec.~\ref{sec:bench} proposes a comprehensive benchmark of various methods on the entire QUEST set which is composed by more than \alert{470} excitations with, in addition, a specific analysis for each type of excited states.
+Section \ref{sec:TBE} discusses the generation of the TBEs, while Sec.~\ref{sec:bench} proposes a comprehensive benchmark of various methods on the entire QUEST set which is composed by more than 400 excitations with, in addition, a specific analysis for each type of excited states.
 Section \ref{sec:website} describes the feature of the website that we have specifically designed to gather the entire data generated during these last few years.
 Thanks to this website, one can easily test and compare the accuracy of a given method with respect to various variables such as the molecule size or its family, the nature of the excited states, the size of the basis set, etc.
 Finally, we draw our conclusions in Sec.~\ref{sec:ccl} where we discuss, in particular, future projects aiming at expanding and improving the usability and accuracy of the QUEST database.
@@ -174,7 +174,7 @@ Finally, we draw our conclusions in Sec.~\ref{sec:ccl} where we discuss, in part
 %=======================
 \subsection{Geometries}
 %=======================
-The GS structures of the molecules included in the QUEST dataset have been systematically optimized at the CC3/aug-cc-pVTZ level of theory, except for a very few cases.
+The ground-state structures of the molecules included in the QUEST dataset have been systematically optimized at the CC3/aug-cc-pVTZ level of theory, except for a very few cases.
 As shown in Refs.~\cite{Hattig_2005c,Budzak_2017}, CC3 provides extremely accurate ground- and excited-state geometries.
 These optimizations have been performed using DALTON 2017 \cite{dalton} and CFOUR 2.1 \cite{cfour} applying default parameters. 
 For the open-shell derivatives beloging to QUEST\#4 \cite{Loos_2020c}, the geometries are optimized at the UCCSD(T)/aug-cc-pVTZ level using the GAUSSIAN16 program \cite{Gaussian16} and applying the ``tight'' convergence threshold. 
@@ -198,8 +198,8 @@ These basis sets are available from the \href{https://www.basissetexchange.org}{
 In order to compute reference vertical energies, we have designed different strategies depending on the actual nature of the transition and the size of the system.
 For small molecules (typically 1--3 non-hydrogen atoms), we mainly resort to SCI methods which can provide near-FCI excitation energies for compact basis sets.
 Obviously, the smaller the molecule, the larger the basis we can afford.
-For larger systems (\ie, 4--6 non-hydrogen atom), one cannot afford SCI calculations anymore expect in a few exceptions, and we then rely on LR-CC theory (LR-CCSDT and LR-CCSDTQ typically \cite{Kucharski_1991,Kallay_2003,Kallay_2004,Hirata_2000,Hirata_2004}) to obtain accurate transition energies.
-In the following, we will omit the prefix LR for the sake of clarity, as equivalent values would be obtained with the equation-of-motion (EOM) formalism.
+For larger systems (\ie, 4--6 non-hydrogen atom), one cannot afford SCI calculations anymore expect in a few special occasions, and we then rely on LR-CC theory (LR-CCSDT and LR-CCSDTQ typically \cite{Kucharski_1991,Kallay_2003,Kallay_2004,Hirata_2000,Hirata_2004}) to obtain accurate transition energies.
+In the following, we will omit the prefix LR for the sake of clarity, as equivalent values would be obtained with the equation-of-motion (EOM) formalism \cite{Rowe_1968,Stanton_1993}.
 
 The CC calculations are performed with several codes. 
 For closed-shell molecules, CC3 \cite{Christiansen_1995b,Koch_1997} calculations are achieved with DALTON \cite{dalton} and CFOUR \cite{cfour}.  
@@ -220,7 +220,7 @@ These extrapolated total energies (simply labeled as $E_\text{FCI}$ in the remai
 Depending on the set, we estimated the extrapolation error via different techniques.
 For example, in Ref.~\cite{Loos_2020b}, we estimated the extrapolation error by the difference between the transition energies obtained with the largest SCI wave function and the FCI extrapolated value. 
 This definitely cannot be viewed as a true error bar, but it provides a rough idea of the quality of the FCI extrapolation and estimate.
-Below, we provide a much cleaner way of estimating the extrapolation error in SCI methods, and we adopt this scheme for the five- and six-membered rings.
+Below, we provide a much cleaner way of estimating the extrapolation error in SCI methods, and we adopt this scheme for the five- and six-membered rings considered in the QUEST\#3 subset.
 The particularity of the current implementation is that the selection step and the PT2 correction are computed \textit{simultaneously} via a hybrid semistochastic algorithm \cite{Garniron_2017,Garniron_2019}.
 Moreover, a renormalized version of the PT2 correction (dubbed rPT2) has been recently implemented for a more efficient extrapolation to the FCI limit \cite{Garniron_2019}.
 We refer the interested reader to Ref.~\cite{Garniron_2019} where one can find all the details regarding the implementation of the CIPSI algorithm.
@@ -264,6 +264,7 @@ The definition of the active space considered for each system as well as the num
 %------------------------------------------------
 In this section, we present our scheme to estimate the extrapolation error in SCI calculations.
 This new protocol is then applied to five- and six-membered ring molecules where SCI calculations are particularly challenging even for small basis sets.
+Note that the present method does only applied to ``state-averaged'' SCI calculations where ground- and excited-state energies are produced during the same calculation with the same set of molecular orbitals, not to ``state-specific'' calculations where one computes solely the energy of a single state (like conventional ground-state calculations).
 
 For the $m$th excited state (where $m = 0$ corresponds to the ground state), we usually estimate its FCI energy $E_{\text{FCI}}^{(m)}$ by performing a linear extrapolation of its variational energy $E_\text{var}^{(m)}$ as a function of its rPT2 correction $E_{\text{rPT2}}^{(m)}$ as follows
 \begin{equation}
@@ -329,7 +330,7 @@ In this case, the error bar is estimated via the extrapolation distance, \ie, th
 This strategy has been considered in some of our previous works \cite{Loos_2020b,Loos_2020c,Loos_2020e}.
 The deviation from the CCSDT excitation energies for the same set of excitations are depicted in Fig.~\ref{fig:errors}, where the red dots correspond to the excitation energies and error bars estimated via the present method, and the blue dots correspond to the excitation energies obtained via a three-point linear fit and error bars estimated via the extrapolation distance.
 These results contains a good balance between well-behaved and ill-behaved cases.
-For example, cyclopentadiene and furan correspond to well-behaved scenarios where the two flavors of the extrapolations for the excitation energy yield nearly identical estimates and the error bars associated with these two methods nicely overlap.
+For example, cyclopentadiene and furan correspond to well-behaved scenarios where the two flavors of extrapolations yield nearly identical estimates and the error bars associated with these two methods nicely overlap.
 In these cases, one can observe that our method based on Gaussian random variables provides almost systematically smaller error bars. 
 Even in less idealistic situations (like in imidazole, pyrrole, and thiophene), the results are very satisfactory and stable.
 The six-membered rings represent much more challenging cases for SCI methods, and even for these systems the newly-developed method provides realistic error bars, and allows to easily detect problematic events (like pyridine for instance).
@@ -340,8 +341,7 @@ A selection of these results can be found in the {\SupInf}.
 %%% TABLE I %%%
 \begin{table}
 \centering
-\caption{Singlet and triplet excitation energies (in eV) obtained at the CC3, CCSDT, and CIPSI levels of theory with the 6-31+G(d) basis set for various five- and six-membered rings.
-The error bars reported in parenthesis correspond to one standard deviation.}
+\caption{Singlet and triplet excitation energies (in eV) obtained at the CC3, CCSDT, and CIPSI levels of theory with the 6-31+G(d) basis set for various five- and six-membered rings.}
 \label{tab:cycles}
 \begin{threeparttable}
 \begin{tabular}{lccccc}
@@ -379,7 +379,8 @@ Triazine			&	$^1A_1''(n \ra \pis)$			&	4.85	&	4.84	&	4.77(13)&	5.12(51)	\\
 \hline  % Please only put a hline at the end of the table
 \end{tabular}
 \begin{tablenotes}
-\item $^a$ Excitation energies and error bars estimated via the present method based on Gaussian random variables (see Sec.~\ref{sec:error}).
+\item $^a$ Excitation energies and error bars estimated via the present method based on Gaussian random variables (see Sec.~\ref{sec:error}). 
+The error bars reported in parenthesis correspond to one standard deviation.
 \item $^b$ Excitation energies obtained via a three-point linear fit using the three largest CIPSI variational wave functions, and error bars estimated via the extrapolation distance, \ie, the difference in excitation energies obtained with the three-point linear extrapolation and the largest CIPSI wave function.
 \end{tablenotes}
 \end{threeparttable}
@@ -389,8 +390,7 @@ Triazine			&	$^1A_1''(n \ra \pis)$			&	4.85	&	4.84	&	4.77(13)&	5.12(51)	\\
 \begin{figure}
 	\centering
 	\includegraphics[width=\linewidth]{fig2}
-	\caption{Deviation from the CCSDT excitation energies for the lowest singlet and triplet excitation energies (in eV) of five- and six-membered rings obtained at the CIPSI/6-31+G(d) level of theory. Red dots: excitation energies and error bars estimated via the present method (see Sec.~\ref{sec:error}). Blue dots: excitation energies obtained via a three-point linear fit using the three largest CIPSI wave functions, and error bars estimated via the extrapolation distance, \ie, the difference in excitation energies obtained with the three-point linear extrapolation and the largest CIPSI wave function.
-	The error bars corresponds to one standard deviation.}
+	\caption{Deviation from the CCSDT excitation energies for the lowest singlet and triplet excitation energies (in eV) of five- and six-membered rings obtained at the CIPSI/6-31+G(d) level of theory. Red dots: excitation energies and error bars estimated via the present method (see Sec.~\ref{sec:error}). Blue dots: excitation energies obtained via a three-point linear fit using the three largest CIPSI wave functions, and error bars estimated via the extrapolation distance, \ie, the difference in excitation energies obtained with the three-point linear extrapolation and the largest CIPSI wave function.}
 	\label{fig:errors}
 \end{figure}
 
@@ -402,10 +402,10 @@ Triazine			&	$^1A_1''(n \ra \pis)$			&	4.85	&	4.84	&	4.77(13)&	5.12(51)	\\
 %=======================
 \subsection{Overview}
 %=======================
-The QUEST database gathers more than \alert{470} highly-accurate excitation energies of various natures (valence, Rydberg, $n \ra \pis$, $\pi \ra \pis$, singlet, doublet, triplet, and double excitations) for molecules ranging from diatomics to molecules as large as naphthalene (see Fig.~\ref{fig:molecules}).
-This set is also diverse chemically, with organic and inorganic systems, open and closed shell systems, acyclic and cyclic systems, pure hydrocarbons and various heteroatoms, etc.
+The QUEST database gathers more than 400 highly-accurate excitation energies of various natures (valence, Rydberg, $n \ra \pis$, $\pi \ra \pis$, singlet, doublet, triplet, and double excitations) for molecules ranging from diatomics to molecules as large as naphthalene (see Fig.~\ref{fig:molecules}).
+This set is also chemically diverse, with organic and inorganic systems, open- and closed-shell compounds, acyclic and cyclic systems, pure hydrocarbons and various heteroatoms, etc.
 Each of the five subsets making up the QUEST dataset is detailed below.
-Throughout the present article, we report several statistical indicators: the mean signed error (MSE), mean absolute error (MAE), root-mean square error (RMSE), and standard deviation of the errors (SDE).
+Throughout the present article, we report several statistical indicators: the mean signed error (MSE), mean absolute error (MAE), root-mean square error (RMSE), and standard deviation of the errors (SDE), as well as the maximum positive [Max(+)] and maximum negative [Max($-$)] errors.
 
 %%% FIGURE 3 %%%
 \begin{figure}
@@ -421,7 +421,7 @@ Throughout the present article, we report several statistical indicators: the me
 %=======================
 The QUEST\#1 benchmark set \cite{Loos_2018a} consists of 110 vertical excitation energies (as well as oscillator strengths) from 18 molecules with sizes ranging from one to three non-hydrogen atoms (water, hydrogen sulfide, ammonia, hydrogen chloride, dinitrogen, carbon monoxide, acetylene, ethylene, formaldehyde, methanimine, thioformaldehyde, acetaldehyde, cyclopropene, diazomethane, formamide, ketene, nitrosomethane, and the smallest
 streptocyanine). For this set, we provided two sets of TBEs: i) one obtained within the frozen-core approximation and the aug-cc-pVTZ basis set, and ii) another one including further corrections for basis set incompleteness and ``all electron'' effects.
-For the former set, we systematically employed FCI/aug-cc-pVTZ values to define our TBEs but for a few cases.
+For the former set, we systematically employed FCI/aug-cc-pVTZ values to define our TBEs, except for a few cases.
 For the latter set, both the ``all electron'' correlation and the basis set corrections were systematically obtained at the CC3 level of theory and with the d-aug-cc-pV5Z basis for the nine smallest molecules, and slightly more compact basis sets for the larger compounds.
 Our TBE/aug-cc-pVTZ reference excitation energies were employed to benchmark a series of popular excited-state wave function methods partially or fully accounting for double and triple excitations, namely CIS(D), CC2, CCSD, STEOM-CCSD, CCSDR(3), CCSDT-3, CC3, ADC(2), and ADC(3). 
 Our main conclusions were that i) ADC(2) and CC2 show strong similarities in terms of accuracy, ii) STEOM-CCSD is, on average, as accurate as CCSD, the latter overestimating transition energies, iii) CC3 is extremely accurate (with a mean absolute error of only $\sim 0.03$ eV) and that although slightly less accurate than CC3, CCSDT-3 could be used as a reliable reference for benchmark studies, and iv) ADC(3) was found to be significantly less accurate than CC3 by overcorrecting ADC(2) excitation energies.
@@ -525,23 +525,32 @@ We refer the interested reader to the {\SupInf} for a detailed discussion of eac
 \section{Theoretical best estimates}
 \label{sec:TBE}
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-We discuss in this section the generation of the TBEs obtained with the aug-cc-pVTZ basis as well as oscillator strengths for most transitions.
-The exhaustive list of TBEs can be found in Table \ref{tab:TBEs} alongside various specifications: 
+We discuss in this section the generation of the TBEs obtained with the aug-cc-pVTZ basis.
+The exhaustive list of TBEs can be found in Table \ref{tab:TBE} alongside various specifications: the molecule's name, the excitation, its nature (valence, Rydberg, or charge transfer), its oscillator strength (when spatially- and spin-allowed), and its percentage of single excitations $\%T_1$ (computed at the CC3 level).
+All these quantities are computed with the same aug-cc-pVTZ basis.
+Importantly, we also report the composite approach considered to compute the TBEs (see column ``Method'').
+Following an ONIOM-like strategy \cite{Svensson_1996a,Svensson_1996b}, the TBEs are computed as ``A/SB + [B/TB - B/SB]'', where A/SB is the excitation energy computed with a method A in a smaller basis (SB), and B/SB and B/TB are excitation energies computed with a method B in the small basis and target basis TB = aug-cc-pVTZ, respectively.
+
+Talking about numbers, the QUEST database is composed by 488 excitation energies, 434 of them being considered as ``safe'' (\ie, chemically-accurate for the considered basis set and geometry), 291 singlet, 197 triplet, 361 valence, and 125 Rydberg excited states. From these, 135 transitions corresponds to $n \ra \pis$ excitations, 198 to $\pi \ra \pis$, and 13 are doubly-excited states. In terms of molecular sizes, 146 excitations are obtained in molecules having in-between 1 and 3 non-hydrogen atoms, 97 excitations from 4 non-hydrogen atom compounds, 177 from molecules composed by 5 and 6 non-hydrogen atoms, and, finally, 68 excitations are obtained from systems with 7 to 10 non-hydrogen atoms.
 
 \begin{ThreePartTable}
 \scriptsize
 \centering
 \begin{longtable}{clccccclc}
 \caption{Theoretical best estimates TBEs (in eV), oscillator strengths $f$, percentage of single excitations $\%T_1$ involved in the transition (computed at the CC3 level) for the entire QUEST database. 
-``Method'' provides the protocol employed to compute the TBEs, ``\# atoms'' corresponds to the number of non-H atoms.
+``Method'' provides the protocol employed to compute the TBEs.
 The nature of the excitation is also provided: V, R, and CT stands for valence, Rydberg, and charge transfer, respectively.
-All quantities are obtained with the aug-cc-pVTZ basis. 
+All quantities are obtained with the aug-cc-pVTZ basis (AVXZ stands for aug-cc-pVXZ). 
 \label{tab:TBE}}
 \\
+\hline
 \#	&\thead{Molecule}	&	\thead{Excitation}	&	\thead{Nature}		&	\thead{$\%T_1$}	&	\thead{f}	&	\thead{TBE}	&	\thead{Method} &	\thead{Safe?}\\
+\hline
 \endfirsthead
 \multicolumn{9}{c}{\tablename\ \thetable\ -- \textit{Continued from previous page}} \\
+\hline
 \thead{\#}	&\thead{Molecule}	&	\thead{Excitation}	&	\thead{Nature}		&	\thead{$\%T_1$}	&	\thead{f}	&	\thead{TBE}	&	\thead{Method} &	\thead{Safe?}\\
+\hline
 \endhead
 \hline \multicolumn{9}{r}{\textit{Continued on next page}} \\
 \endfoot
@@ -578,10 +587,10 @@ All quantities are obtained with the aug-cc-pVTZ basis.
 29	&	                              	&	$^3A_2   (n \ra 3s)$	&	R	&	98	&		&	6.31	&	FCI/AVTZ	&	Y	\\
 30	&	Aza-naphthalene	&	$^1B_{3g} (n \ra \pi^*)$	&	V	&	88	&		&	3.14	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
 31	&		&	$^1B_{2u} (\pi \ra \pi^*)$	&	V	&	86	&	0.19	&	4.28	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
-32	&		&	$^1B_{1u} (n \ra \pi^*)$	&	V	&	88	&	n.d.	&	4.34	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+32	&		&	$^1B_{1u} (n \ra \pi^*)$	&	V	&	88	&	---	&	4.34	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
 33	&		&	$^1B_{2g}    (n \ra \pi^*)$	&	V	&	87	&		&	4.55	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
 34	&		&	$^1B_{2g}    (n \ra \pi^*)$	&	V	&	84	&		&	4.89	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
-35	&		&	$^1B_{1u} (n \ra \pi^*)$	&	V	&	82	&	n.d.	&	5.24	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	N	\\
+35	&		&	$^1B_{1u} (n \ra \pi^*)$	&	V	&	82	&	---	&	5.24	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	N	\\
 36	&		&	$^1A_u (n \ra \pi^*)$	&	V	&	83	&		&	5.34	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
 37	&		&	$^1B_{3u} (\pi \ra \pi^*)$	&	V	&	88	&	0.028	&	5.68	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	N	\\
 38	&		&	$^1A_g (\pi \ra \pi^*)$	&	V	&	85	&		&	5.8	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
@@ -884,7 +893,7 @@ All quantities are obtained with the aug-cc-pVTZ basis.
 335	&		&	$^1A'    ()$	&	R	&	92	&	0.038	&	6.27	&	CCSDTQ/AVDZ + [CCSDT/AVTZ - CCSDT/AVDZ]	&	Y	\\
 336	&		&	$^3A''    (n \ra \pi^*)$	&	V	&	99	&		&	0.88	&	FCI/AVTZ	&	Y	\\
 337	&		&	$^3A'    (\pi \ra \pi^*)$	&	V	&	98	&		&	5.61	&	FCI/AVTZ	&	Y	\\
-338	&	Octatetraene	&	$^1B_u    (\pi \ra \pi^*)$	&	V	&	91	&		&	4.78	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
+338	&	Octatetraene	&	$^1B_u    (\pi \ra \pi^*)$	&	V	&	91	&	---	&	4.78	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	Y	\\
 339	&		&	$^1A_g (\pi \ra \pi^*)$	&	V	&	63	&		&	4.9	&	CCSDT/6-31+G(d) + [CC3/AVTZ - CC3/6-31+G(d)]	&	N	\\
 340	&		&	$^3B_u (\pi \ra \pi^*)$	&	V	&	97	&		&	2.36	&	CC3/AVTZ	&	N	\\
 341	&		&	$^3A_g (\pi \ra \pi^*)$	&	V	&	98	&		&	3.73	&	CC3/AVTZ	&	N	\\
@@ -1040,14 +1049,11 @@ All quantities are obtained with the aug-cc-pVTZ basis.
 \section{Benchmarks}
 \label{sec:bench}
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-In this section, we report a comprehensive benchmark of various lower-order methods on the entire QUEST set which is composed by more than \alert{470} excitations.
+In this section, we report a comprehensive benchmark of various lower-order methods on the entire QUEST dataset.
 Statistical quantities are reported in Table \ref{tab:stat}.
 Additionally, we also provide a specific analysis for each type of excited states.
 Hence, the statistical values are reported for various types of excited states and molecular sizes for the MSE and MAE.
-The distribution of the errors in vertical excitation energies (with respect to the TBE/aug-cc-pVTZ reference values) are represented in Fig.~\ref{fig:QUEST_stat} for all the single excitations of the entire QUEST database.
-
-%En SI au moins des histogrammes pour ttes les approches.
-% Un graphe avec les MAE en finctions ds subsets pour une m�me m�thode, surement por la taille.
+The distribution of the errors in vertical excitation energies (with respect to the TBE/aug-cc-pVTZ reference values) are represented in Fig.~\ref{fig:QUEST_stat} for all the safe excitations of the entire QUEST database.
 
 \begin{sidewaystable}
 \scriptsize
@@ -1099,12 +1105,12 @@ MAE			&				& 0.22	& 0.16	& 0.22	& 0.11	& 0.12	& 0.05	& 0.04	& 0.02	& 0.20	& 0.22
 \end{sidewaystable}
 
 \begin{figure}
-	\includegraphics[width=\textwidth]{histograms}
+	\centering
+	\includegraphics[width=0.9\textwidth]{histograms}
 	\caption{Distribution of the error (in eV) in excitation energies (with respect to TBE/aug-cc-pVTZ values) for various methods for the entire QUEST database.
 	Only the ``safe'' TBEs are considered (see Table \ref{tab:TBE}).
 	See Table \ref{tab:stat} for the values of the corresponding statistical quantities.
-%	The boxes contain the data between first and third quartiles, and the line in the box represents the median. 
-%	The outliers are shown as dots.
+	QC and TM indicate that Q-CHEM and TURBOMOLE scaling factor are considered, respectively.
 	\label{fig:QUEST_stat}}
 \end{figure}
 
diff --git a/Manuscript/histograms.pdf b/Manuscript/histograms.pdf
index 23ad7fd8c455d0076f74581130408a72bca974ff..33ef2f06d2a35dc7326ec48cfdde23fcbba80549 100644
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From 4db92afbdb811d0a48ee70c8c61e5209a2702a4c Mon Sep 17 00:00:00 2001
From: Pierre-Francois Loos <pierrefrancois.loos@gmail.com>
Date: Thu, 19 Nov 2020 11:54:46 +0100
Subject: [PATCH 3/4] TBE OK

---
 Data/FCI-all.xlsx | Bin 295859 -> 295852 bytes
 1 file changed, 0 insertions(+), 0 deletions(-)

diff --git a/Data/FCI-all.xlsx b/Data/FCI-all.xlsx
index f72ae7f385cc5a94a57a80b613fe1329af3030fc..637ca3906355ce3382a51f5e39b7dfaf32267dbe 100644
GIT binary patch
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From 122ae23bfefe64e3e166a8c964605ffbb0ca4bbb Mon Sep 17 00:00:00 2001
From: Pierre-Francois Loos <pierrefrancois.loos@gmail.com>
Date: Thu, 19 Nov 2020 12:07:46 +0100
Subject: [PATCH 4/4] clean up bibtex

---
 Manuscript/QUESTDB.bib | 1744 +---------------------------------------
 1 file changed, 31 insertions(+), 1713 deletions(-)

diff --git a/Manuscript/QUESTDB.bib b/Manuscript/QUESTDB.bib
index 3133ebe..18af962 100644
--- a/Manuscript/QUESTDB.bib
+++ b/Manuscript/QUESTDB.bib
@@ -14,11 +14,9 @@
 	date-modified = {2020-11-19 11:35:04 +0100},
 	doi = {10.1021/jp962071j},
 	eprint = {https://doi.org/10.1021/jp962071j},
-	journal = {The Journal of Physical Chemistry},
-	number = {50},
+	journal = {J. Phys. Chem.},
 	pages = {19357-19363},
 	title = {ONIOM: A Multilayered Integrated MO + MM Method for Geometry Optimizations and Single Point Energy Predictions. A Test for Diels-Alder Reactions and Pt(P(t-Bu)3)2 + H2 Oxidative Addition},
-	url = {https://doi.org/10.1021/jp962071j},
 	volume = {100},
 	year = {1996},
 	Bdsk-Url-1 = {https://doi.org/10.1021/jp962071j}}
@@ -29,11 +27,9 @@
 	date-modified = {2020-11-19 11:33:49 +0100},
 	doi = {10.1063/1.472235},
 	eprint = {https://doi.org/10.1063/1.472235},
-	journal = {The Journal of Chemical Physics},
-	number = {9},
+	journal = {J. Chem. Phys.},
 	pages = {3654-3661},
 	title = {Energetics using the single point IMOMO (integrated molecular orbital+molecular orbital) calculations: Choices of computational levels and model system},
-	url = {https://doi.org/10.1063/1.472235},
 	volume = {105},
 	year = {1996},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.472235}}
@@ -49,7 +45,6 @@
 	series = {Theoretical and Computational Chemistry Series},
 	subtitle = {An Introduction to Physical Models and Computational Methods},
 	title = {London Dispersion Forces in Molecules{,} Solids and Nano-structures},
-	url = {http://dx.doi.org/10.1039/9781782623861},
 	year = {2020},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1039/9781782623861}}
 
@@ -82,10 +77,8 @@
 	doi = {10.1063/1.1564061},
 	eprint = {https://doi.org/10.1063/1.1564061},
 	journal = {J. Chem. Phys.},
-	number = {17},
 	pages = {7751--7761},
 	title = {Geometry Optimizations with the Coupled-Cluster Model CC2 using the Resolution-of-the-Identity Approximation},
-	url = {https://doi.org/10.1063/1.1564061},
 	volume = {118},
 	year = {2003},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1564061}}
@@ -120,10 +113,8 @@
 	doi = {https://doi.org/10.1002/wcms.99},
 	eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.99},
 	journal = {WIREs Comput. Mol. Sci.},
-	number = {4},
 	pages = {566--584},
 	title = {Excited State Coupled Cluster Methods},
-	url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/wcms.99},
 	volume = {2},
 	year = {2012},
 	Bdsk-Url-1 = {https://onlinelibrary.wiley.com/doi/abs/10.1002/wcms.99},
@@ -133,7 +124,7 @@
 	author = {Hirata, S.},
 	date-added = {2020-11-18 08:51:06 +0100},
 	date-modified = {2020-11-18 08:51:14 +0100},
-	journal = JCP,
+	journal = {J. Chem. Phys.},
 	pages = {51--59},
 	title = {Higher-Order Equation-of-Motion Coupled-Cluster Methods},
 	volume = 121,
@@ -146,10 +137,8 @@
 	doi = {10.1063/1.1589003},
 	eprint = {https://doi.org/10.1063/1.1589003},
 	journal = {J. Chem. Phys.},
-	number = {6},
 	pages = {2991--3004},
 	title = {Analytic First Derivatives for General Coupled-Cluster and Configuration Interaction Models},
-	url = {https://doi.org/10.1063/1.1589003},
 	volume = {119},
 	year = {2003},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1589003}}
@@ -171,10 +160,8 @@
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 	journal = {J. Chem. Phys.},
-	number = {18},
 	pages = {8263-8266},
 	title = {Coupled-Cluster Theory for Excited Electronic States: The Full Equation-Of-Motion Coupled-Cluster Single, Double, and Triple Excitation Method},
-	url = {https://doi.org/10.1063/1.1416173},
 	volume = {115},
 	year = {2001},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.1416173}}
@@ -187,10 +174,8 @@
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 	eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/%28SICI%291097-461X%281998%2968%3A1%3C1%3A%3AAID-QUA1%3E3.0.CO%3B2-Z},
 	journal = {Int. J. Quantum Chem.},
-	number = {1},
 	pages = {1--52},
 	title = {Response Functions from Fourier Component Variational Perturbation Theory Applied to a Time-Averaged Quasienergy},
-	url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/%28SICI%291097-461X%281998%2968%3A1%3C1%3A%3AAID-QUA1%3E3.0.CO%3B2-Z},
 	volume = {68},
 	year = {1998},
 	Bdsk-Url-1 = {https://onlinelibrary.wiley.com/doi/abs/10.1002/%28SICI%291097-461X%281998%2968%3A1%3C1%3A%3AAID-QUA1%3E3.0.CO%3B2-Z},
@@ -204,10 +189,8 @@
 	eprint = {https://doi.org/10.1021/ct900489g},
 	journal = {J. Chem. Theory Comput.},
 	note = {PMID: 26614324},
-	number = {1},
 	pages = {107-126},
 	title = {A General Database for Main Group Thermochemistry, Kinetics, and Noncovalent Interactions -- Assessment of Common and Reparameterized (meta-)GGA Density Functionals},
-	url = {https://doi.org/10.1021/ct900489g},
 	volume = {6},
 	year = {2010},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct900489g}}
@@ -220,10 +203,8 @@
 	eprint = {https://doi.org/10.1021/ct100466k},
 	journal = {J. Chem. Theory Comput.},
 	note = {PMID: 26596152},
-	number = {2},
 	pages = {291-309},
 	title = {Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals---Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions},
-	url = {https://doi.org/10.1021/ct100466k},
 	volume = {7},
 	year = {2011},
 	Bdsk-Url-1 = {https://doi.org/10.1021/ct100466k}}
@@ -234,12 +215,10 @@
 	date-added = {2020-11-18 08:37:33 +0100},
 	date-modified = {2020-11-18 08:38:11 +0100},
 	doi = {10.1039/C0CP02984J},
-	issue = {14},
 	journal = {Phys. Chem. Chem. Phys.},
 	pages = {6670-6688},
 	publisher = {The Royal Society of Chemistry},
 	title = {A thorough benchmark of density functional methods for general main group thermochemistry{,} kinetics{,} and noncovalent interactions},
-	url = {http://dx.doi.org/10.1039/C0CP02984J},
 	volume = {13},
 	year = {2011},
 	Bdsk-Url-1 = {http://dx.doi.org/10.1039/C0CP02984J}}
@@ -252,10 +231,8 @@
 	doi = {https://doi.org/10.1002/qua.560120850},
 	eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.560120850},
 	journal = {International Journal of Quantum Chemistry},
-	number = {S11},
 	pages = {421-432},
 	title = {Calculation of properties with the coupled-cluster method},
-	url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.560120850},
 	volume = {12},
 	year = {1977},
 	Bdsk-Url-1 = {https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.560120850},
@@ -267,11 +244,9 @@
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 	doi = {10.1063/1.480352},
 	eprint = {https://doi.org/10.1063/1.480352},
-	journal = {The Journal of Chemical Physics},
-	number = {22},
+	journal = {J. Chem. Phys.},
 	pages = {9982-9999},
 	title = {A consistent third-order propagator method for electronic excitation},
-	url = {https://doi.org/10.1063/1.480352},
 	volume = {111},
 	year = {1999},
 	Bdsk-Url-1 = {https://doi.org/10.1063/1.480352}}
@@ -292,7 +267,6 @@
 	date-modified = {2020-11-19 10:13:08 +0100},
 	doi = {10.1063/5.0026324},
 	journal = {J. Chem. Phys.},
-	number = {17},
 	pages = {174107},
 	title = {Taming the fixed-node error in diffusion Monte Carlo via range separation},
 	volume = {153},
@@ -305,11 +279,9 @@
 	date-modified = {2020-11-04 21:14:48 +0100},
 	doi = {10.1063/5.0027617},
 	eprint = {https://doi.org/10.1063/5.0027617},
-	journal = {The Journal of Chemical Physics},
-	number = {17},
+	journal = {J. Chem. Phys.},
 	pages = {176101},
 	title = {The performance of CIPSI on the ground state electronic energy of benzene},
-	url = {https://doi.org/10.1063/5.0027617},
 	volume = {153},
 	year = {2020},
 	Bdsk-Url-1 = {https://doi.org/10.1063/5.0027617}}
@@ -320,21 +292,18 @@
 	date-modified = {2020-11-04 21:07:34 +0100},
 	journal = {J. Chem. Theory Comput.},
 	title = {A mountaineering strategy to excited states: highly-accurate oscillator strengths and dipole moments of small molecules},
-	year = {submitted}}
+	year = {in press}}
 
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 	date-modified = {2020-11-04 16:30:08 +0100},
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@@ -360,10 +329,8 @@
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 	journal = {Accounts of Chemical Research},
 	note = {PMID: 16489727},
-	number = {2},
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 	journal = {International Reviews in Physical Chemistry},
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+	journal = {J. Chem. Phys.},
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+	journal = {J. Chem. Phys.},
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@@ -853,10 +804,8 @@
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 	issn = {0009-2614},
 	journal = {Chemical Physics Letters},
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 	eprint = {https://doi.org/10.1063/1.455827},
-	journal = {The Journal of Chemical Physics},
-	number = {7},
+	journal = {J. Chem. Phys.},
 	pages = {3700-3703},
 	title = {Is coupled cluster singles and doubles (CCSD) more computationally intensive than quadratic configuration interaction (QCISD)?},
-	url = {https://doi.org/10.1063/1.455827},
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 	Bdsk-Url-1 = {http://dx.doi.org/10.1002/qua.10745}}
@@ -6591,10 +5979,8 @@
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 	issn = {1097-461X},
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 	keywords = {excited electronic states, CASSCF, MR-CI, MR-AQCC, VibSCF},
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@@ -6667,12 +6047,9 @@
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 	file = {/Users/loos/Zotero/storage/BEWPPY67/Filatov - 2015 - Spin-restricted ensemble-referenced Kohn-Sham meth.pdf},
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 	file = {Full Text PDF:/home/scemama/Dropbox/Zotero/storage/XR99ZTDH/Schriber and Evangelista - 2016 - Communication An adaptive configuration interacti.pdf:application/pdf;Snapshot:/home/scemama/Dropbox/Zotero/storage/6KITP3BL/1.html:text/html},
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@@ -12577,12 +11281,9 @@
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@@ -12624,12 +11323,9 @@
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 	Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.8b00591}}
@@ -13479,7 +12103,6 @@
 	date-modified = {2019-10-26 21:03:16 +0200},
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@@ -13739,8 +12360,6 @@
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@@ -13756,8 +12375,6 @@
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@@ -13769,7 +12386,6 @@
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 	doi = {10.1063/1.4963749},
 	file = {/Users/loos/Zotero/storage/GZA8PHWK/Parker et al. - 2016 - Unphysical divergences in response theory.pdf},
 	issn = {0021-9606, 1089-7690},
-	journal = {The Journal of Chemical Physics},
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 	issn = {1549-9618, 1549-9626},
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@@ -13945,8 +12551,6 @@
 	issn = {1549-9618, 1549-9626},
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 	title = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules II}}: {{Non}}-{{Empirically Tuned Long}}-{{Range Corrected Hybrid Functionals}}},
@@ -13962,8 +12566,6 @@
 	issn = {1549-9618, 1549-9626},
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 	title = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules III}}: {{A Benchmark}} of {{{\emph{GW}}}} {{Methods}}},
@@ -13979,8 +12581,6 @@
 	issn = {1549-9618, 1549-9626},
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 	shorttitle = {{{{\emph{GW}}}} 100},
 	title = {{{{\emph{GW}}}} 100: {{A Plane Wave Perspective}} for {{Small Molecules}}},
@@ -13996,8 +12596,6 @@
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 	journal = {J. Chem. Theory Comput.},
 	language = {en},
-	month = feb,
-	number = {2},
 	pages = {595-604},
 	title = {Accurate {{Ionization Potentials}} and {{Electron Affinities}} of {{Acceptor Molecules I}}. {{Reference Data}} at the {{CCSD}}({{T}}) {{Complete Basis Set Limit}}},
 	volume = {12},
@@ -14012,8 +12610,6 @@
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 	journal = {J. Chem. Phys.},
 	language = {en},
-	month = nov,
-	number = {19},
 	pages = {194105},
 	title = {Local {{Hamiltonians}} for Quantitative {{Green}}'s Function Embedding Methods},
 	volume = {141},
@@ -14036,11 +12632,8 @@
 	issn = {0031-899X},
 	journal = {Physical Review},
 	language = {en},
-	month = jun,
-	number = {5},
 	pages = {1417--1427},
 	title = {Ground-{State} {Energy} of a {Many}-{Fermion} {System}. {II}},
-	url = {https://link.aps.org/doi/10.1103/PhysRev.118.1417},
 	urldate = {2018-03-12},
 	volume = {118},
 	year = {1960},
@@ -14055,8 +12648,6 @@
 	issn = {0022-2461, 1573-4803},
 	journal = {J. Mater. Sci.},
 	language = {en},
-	month = nov,
-	number = {21},
 	pages = {7447--7471},
 	title = {Random-Phase Approximation and Its Applications in Computational Chemistry and Materials Science},
 	volume = {47},
@@ -14071,8 +12662,6 @@
 	issn = {2469-9950, 2469-9969},
 	journal = {Phys. Rev. B},
 	language = {en},
-	month = mar,
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 	pages = {121102},
 	title = {G {{W}} Self-Screening Error and Its Correction Using a Local Density Functional},
 	volume = {97},
@@ -14087,8 +12676,6 @@
 	issn = {1098-0121, 1550-235X},
 	journal = {Phys. Rev. B},
 	language = {en},
-	month = jan,
-	number = {3},
 	pages = {035106},
 	title = {G {{W}} Approximation with Self-Screening Correction},
 	volume = {85},
@@ -14103,8 +12690,6 @@
 	issn = {0021-9606, 1089-7690},
 	journal = {J. Chem. Phys.},
 	language = {en},
-	month = jun,
-	number = {24},
 	pages = {241101},
 	shorttitle = {Communication},
 	title = {Communication: {{The}} Description of Strong Correlation within Self-Consistent {{Green}}'s Function Second-Order Perturbation Theory},
@@ -14120,8 +12705,6 @@
 	issn = {0021-9606, 1089-7690},
 	journal = {J. Chem. Phys.},
 	language = {en},
-	month = may,
-	number = {19},
 	pages = {194108},
 	title = {Fractional Charge and Spin Errors in Self-Consistent {{Green}}'s Function Theory},
 	volume = {142},
@@ -14136,8 +12719,6 @@
 	issn = {0021-9606, 1089-7690},
 	journal = {J. Chem. Phys.},
 	language = {en},
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 	pages = {054106},
 	title = {Self-Consistent Second-Order {{Green}}'s Function Perturbation Theory for Periodic Systems},
 	volume = {144},
@@ -14165,7 +12746,6 @@
 	doi = {10.1103/PhysRevB.54.8411},
 	file = {/Users/loos/Zotero/storage/QZN2CFQX/vonBarth_1996.pdf},
 	journal = {Phys. Rev. B},
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@@ -14180,7 +12760,6 @@
 	doi = {10.1103/PhysRevA.40.4837},
 	file = {/Users/loos/Zotero/storage/Q9SZH8DT/Casida_1989.pdf},
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@@ -14194,7 +12773,6 @@
 	doi = {10.1103/PhysRevA.44.5773},
 	file = {/Users/loos/Zotero/storage/56Z844J7/Casida_1991a.pdf},
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@@ -14209,7 +12787,6 @@
 	doi = {10.1002/qua.560400206},
 	file = {/Users/loos/Zotero/storage/XHIUNWXB/Casida_1991b.pdf},
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 	volume = {40},
@@ -14225,8 +12802,6 @@
 	issn = {1098-0121, 1550-235X},
 	journal = {Phys. Rev. B},
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@@ -14239,7 +12814,6 @@
 	date-modified = {2018-03-03 16:36:07 +0000},
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@@ -14251,7 +12825,6 @@
 	date-modified = {2018-03-03 16:36:07 +0000},
 	file = {/Users/loos/Zotero/storage/J4XS8Z9Q/Schone_1998.pdf},
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@@ -14295,8 +12865,6 @@
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 	issn = {0031-9007},
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 	title = {First-{{Principles Theory}} of {{Quasiparticles}}: {{Calculation}} of {{Band Gaps}} in {{Semiconductors}} and {{Insulators}}},
@@ -14343,8 +12909,6 @@
 	issn = {0031-899X},
 	journal = {Phys. Rev.},
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 	title = {Perturbation {{Theory}} for an {{Infinite Medium}} of {{Fermions}}. {{II}}},
 	volume = {121},
@@ -14359,8 +12923,6 @@
 	issn = {0031-9007, 1079-7114},
 	journal = {Phys. Rev. Lett.},
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-	month = aug,
-	number = {8},
 	pages = {1662--1665},
 	title = {Self-{{Consistent Calculations}} of {{Quasiparticle States}} in {{Metals}} and {{Semiconductors}}},
 	volume = {81},
@@ -14384,8 +12946,6 @@
 	issn = {1050-2947, 1094-1622},
 	journal = {Phys. Rev. A},
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@@ -14426,8 +12986,6 @@
 	issn = {01620134},
 	journal = {Journal of Inorganic Biochemistry},
 	language = {en},
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 	title = {A Theoretical Study of {{Ru}}({{II}}) Polypyridyl {{DNA intercalatorsStructure}} and Electronic Absorption Spectroscopy of [{{Ru}}(Phen)2(Dppz)]2+ and [{{Ru}}(Tap)2(Dppz)]2+ Complexes Intercalated in Guanine\textendash{}cytosine Base Pairs},
 	volume = {104},
@@ -14443,8 +13001,6 @@
 	issn = {1549-9618, 1549-9626},
 	journal = {Journal of Chemical Theory and Computation},
 	language = {en},
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 	date-modified = {2018-02-24 12:51:10 +0000},
 	file = {/Users/loos/Zotero/storage/DCFUMHWZ/56.pdf},
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@@ -14489,8 +13044,6 @@
 	issn = {00092614},
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@@ -14504,10 +13057,8 @@
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 	file = {/Users/loos/Zotero/storage/5FHSI4FF/14.pdf},
 	issn = {1520-6106, 1520-5207},
-	journal = {The Journal of Physical Chemistry B},
+	journal = {J. Phys. Chem. B},
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 	issn = {0021-9606, 1089-7690},
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@@ -14540,7 +13089,6 @@
 	issn = {1463-9076, 1463-9084},
 	journal = {Physical Chemistry Chemical Physics},
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@@ -14556,8 +13104,6 @@
 	issn = {0021-9606, 1089-7690},
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@@ -14574,8 +13120,6 @@
 	issn = {01661280},
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 	title = {A {{TD}}-{{DFT}} Investigation of {{UV}} Spectra of Pyrano{\"\i}dic Dyes: {{A NCM}} vs {{PCM}} Comparison},
@@ -14587,7 +13131,6 @@
 	author = {Almbladh, C.-O. and Barth, U. Von and Leeuwen, R. Van},
 	file = {/Users/loos/Zotero/storage/7TN6GPFJ/Almbladh_1999.pdf},
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@@ -14597,7 +13140,6 @@
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@@ -14610,8 +13152,6 @@
 	issn = {1098-0121, 1550-235X},
 	journal = {Phys. Rev. B},
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 	title = {{\emph{Ab Initio}} Calculations of Electronic Excitations: {{Collapsing}} Spectral Sums},
 	volume = {82},
@@ -14625,8 +13165,6 @@
 	issn = {1098-0121, 1550-235X},
 	journal = {Phys. Rev. B},
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 	title = {Efficient {{G W}} Calculations for {{SnO}} 2 , {{ZnO}}, and Rubrene: {{The}} Effective-Energy Technique},
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@@ -14639,8 +13177,6 @@
 	file = {/Users/loos/Zotero/storage/QZKHN82B/Berger_2014.pdf},
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@@ -14655,8 +13191,6 @@
 	issn = {0021-9606, 1089-7690},
 	journal = {J. Chem. Phys.},
 	language = {en},
-	month = jan,
-	number = {3},
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 	volume = {144},
@@ -14670,8 +13204,6 @@
 	issn = {1549-9618, 1549-9626},
 	journal = {J. Chem. Theory Comput.},
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@@ -14685,8 +13217,6 @@
 	issn = {0031-9007, 1079-7114},
 	journal = {Phys. Rev. Lett.},
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 	issn = {0021-9606, 1089-7690},
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 	issn = {1549-9618, 1549-9626},
 	journal = {J. Chem. Theory Comput.},
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@@ -14729,8 +13255,6 @@
 	issn = {0021-9606, 1089-7690},
 	journal = {J. Chem. Phys.},
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@@ -14745,8 +13269,6 @@
 	issn = {1098-0121, 1550-235X},
 	journal = {Phys. Rev. B},
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@@ -14762,8 +13284,6 @@
 	issn = {1098-0121, 1550-235X},
 	journal = {Phys. Rev. B},
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@@ -14802,8 +13322,6 @@
 	issn = {1098-0121, 1550-235X},
 	journal = {Phys. Rev. B},
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@@ -14817,8 +13335,6 @@
 	issn = {0021-9606, 1089-7690},
 	journal = {J. Chem. Phys.},
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@@ -14832,7 +13348,6 @@
 	issn = {0020-7608, 1097-461X},
 	journal = {Int. J. Quantum Chem.},
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 	issn = {0021-9606, 1089-7690},
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@@ -14859,10 +13372,8 @@
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 	file = {/Users/loos/Zotero/storage/RQLPMH6E/Danovich_2011.pdf},
 	issn = {17590876},
-	journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
+	journal = {WIREs Comput. Mol. Sci.},
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 	title = {Green's Function Methods for Calculating Ionization Potentials, Electron Affinities, and Excitation Energies: {{GF}} Methods for Calculating {{IPs}}, {{EAs}}, and Excitation Energies},
@@ -14875,10 +13386,8 @@
 	doi = {10.1002/wcms.1206},
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 	issn = {17590876},
-	journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
+	journal = {WIREs Comput. Mol. Sci.},
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 	issn = {0031-9007, 1079-7114},
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@@ -14928,8 +13435,6 @@
 	issn = {0031-9007, 1079-7114},
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 	issn = {0031-9007, 1079-7114},
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@@ -14973,8 +13474,6 @@
 	issn = {1098-0121, 1550-235X},
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@@ -14988,8 +13487,6 @@
 	issn = {1098-0121, 1550-235X},
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@@ -15002,8 +13499,6 @@
 	issn = {1549-9618, 1549-9626},
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@@ -15018,8 +13513,6 @@
 	issn = {1549-9618, 1549-9626},
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 	title = {Quasi-{{Particle Self}}-{{Consistent}} {{{\emph{GW}}}} for {{Molecules}}},
 	volume = {12},
@@ -15033,8 +13526,6 @@
 	issn = {0021-9606, 1089-7690},
 	journal = {J. Chem. Phys.},
 	language = {en},
-	month = may,
-	number = {19},
 	pages = {194108},
 	title = {An Assessment of Low-Lying Excitation Energies and Triplet Instabilities of Organic Molecules with an {\emph{Ab Initio}} {{Bethe}}-{{Salpeter}} Equation Approach and the {{Tamm}}-{{Dancoff}} Approximation},
 	volume = {146},
@@ -15049,8 +13540,6 @@
 	issn = {1098-0121, 1550-235X},
 	journal = {Phys. Rev. B},
 	language = {en},
-	month = jul,
-	number = {3},
 	pages = {035120},
 	shorttitle = {Renormalized Second-Order Perturbation Theory for the Electron Correlation Energy},
 	title = {Renormalized Second-Order Perturbation Theory for the Electron Correlation Energy: {{Concept}}, Implementation, and Benchmarks},
@@ -15065,8 +13554,6 @@
 	issn = {1948-7185},
 	journal = {J. Phys. Chem. Lett.},
 	language = {en},
-	month = jul,
-	number = {14},
 	pages = {3223--3227},
 	title = {Accurate {{Quasiparticle Spectra}} from the {{T}}-{{Matrix Self}}-{{Energy}} and the {{Particle}}\textendash{}{{Particle Random Phase Approximation}}},
 	volume = {8},
@@ -15080,8 +13567,6 @@
 	issn = {1098-0121, 1550-235X},
 	journal = {Phys. Rev. B},
 	language = {en},
-	month = oct,
-	number = {15},
 	title = {{{GW}} + {{T}} Theory of Excited Electron Lifetimes in Metals},
 	volume = {72},
 	year = {2005},
@@ -15094,8 +13579,6 @@
 	issn = {1549-9618, 1549-9626},
 	journal = {J. Chem. Theory Comput.},
 	language = {en},
-	month = oct,
-	number = {10},
 	pages = {4997--5003},
 	title = {Stochastic {{GW Calculations}} for {{Molecules}}},
 	volume = {13},
@@ -15109,8 +13592,6 @@
 	issn = {0031-9007, 1079-7114},
 	journal = {Phys. Rev. Lett.},
 	language = {en},
-	month = may,
-	number = {19},
 	title = {Many-{{Body Approximation Scheme}} beyond {{GW}}},
 	volume = {92},
 	year = {2004},
@@ -15123,8 +13604,6 @@
 	issn = {0021-9606, 1089-7690},
 	journal = {J. Chem. Phys.},
 	language = {en},
-	month = nov,
-	number = {17},
 	pages = {174110},
 	title = {Benchmark Tests and Spin Adaptation for the Particle-Particle Random Phase Approximation},
 	volume = {139},
@@ -15138,8 +13617,6 @@
 	issn = {0021-9606, 1089-7690},
 	journal = {J. Chem. Phys.},
 	language = {en},
-	month = apr,
-	number = {16},
 	pages = {164111},
 	title = {Stochastic Evaluation of Second-Order {{Dyson}} Self-Energies},
 	volume = {138},
@@ -15150,10 +13627,8 @@
 	author = {Leng, Xia and Jin, Fan and Wei, Min and Ma, Yuchen},
 	doi = {10.1002/wcms.1265},
 	issn = {17590876},
-	journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
+	journal = {WIREs Comput. Mol. Sci.},
 	language = {en},
-	month = sep,
-	number = {5},
 	pages = {532--550},
 	shorttitle = {{{GW}} Method and {{Bethe}}-{{Salpeter}} Equation for Calculating Electronic Excitations},
 	title = {{{GW}} Method and {{Bethe}}-{{Salpeter}} Equation for Calculating Electronic Excitations: {{GW}} Method and {{Bethe}}-{{Salpeter}} Equation},
@@ -15169,8 +13644,6 @@
 	issn = {1098-0121, 1550-235X},
 	journal = {Phys. Rev. B},
 	language = {en},
-	month = nov,
-	number = {20},
 	pages = {205415},
 	shorttitle = {All-Electron {{G W}} Methods Implemented in Molecular Orbital Space},
 	title = {All-Electron {{G W}} Methods Implemented in Molecular Orbital Space: {{Ionization}} Energy and Electron Affinity of Conjugated Molecules},
@@ -15182,7 +13655,6 @@
 	author = {Knowles, P. J. and Somasundram, K. and Handy, N. C. and Hirao, K.},
 	file = {/Users/loos/Zotero/storage/KGTI53ND/Knowles_1985.pdf},
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 	pages = {8--12},
 	title = {The Calculation of Higher-Order Energies in the Many-Body Perturbation Theory Series},
 	volume = {113},
@@ -15192,7 +13664,6 @@
 	author = {Knowles, Peter J. and Handy, Nicholas C.},
 	file = {/Users/loos/Zotero/storage/XWJJMYAA/Knowles_1989.pdf},
 	journal = {Comput. Phys. Commun.},
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 	pages = {75--83},
 	title = {A Determinant Based Full Configuration Interaction Program},
 	volume = {54},
@@ -15206,8 +13677,6 @@
 	issn = {1098-0121, 1550-235X},
 	journal = {Phys. Rev. B},
 	language = {en},
-	month = apr,
-	number = {15},
 	pages = {155417},
 	title = {Fully Self-Consistent {{G W}} and Quasiparticle Self-Consistent {{G W}} for Molecules},
 	volume = {89},
@@ -15222,8 +13691,6 @@
 	issn = {0031-9007, 1079-7114},
 	journal = {Phys. Rev. Lett.},
 	language = {en},
-	month = aug,
-	number = {12},
 	pages = {126401},
 	shorttitle = {Band-{{Gap Problem}} in {{Semiconductors Revisited}}},
 	title = {Band-{{Gap Problem}} in {{Semiconductors Revisited}}: {{Effects}} of {{Core States}} and {{Many}}-{{Body Self}}-{{Consistency}}},
@@ -15237,8 +13704,6 @@
 	file = {/Users/loos/Zotero/storage/RP3LEGVA/Lani_2012.pdf},
 	issn = {1367-2630},
 	journal = {New J. Phys.},
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 	pages = {013056},
 	shorttitle = {Approximations for Many-Body {{Green}}'s Functions},
 	title = {Approximations for Many-Body {{Green}}'s Functions: Insights from the Fundamental Equations},
@@ -15254,8 +13719,6 @@
 	issn = {0031-9007, 1079-7114},
 	journal = {Phys. Rev. Lett.},
 	language = {en},
-	month = apr,
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 	pages = {163001},
 	title = {Helium {{Atom Excitations}} by the {{G W}} and {{Bethe}}-{{Salpeter Many}}-{{Body Formalism}}},
 	volume = {118},
@@ -15270,8 +13733,6 @@
 	issn = {1098-0121, 1550-235X},
 	journal = {Phys. Rev. B},
 	language = {en},
-	month = dec,
-	number = {24},
 	pages = {245134},
 	title = {Analysis of Exact Vertex Function for Improving on the {{GW $\Gamma$}} Scheme for First-Principles Calculation of Electron Self-Energy},
 	volume = {84},
@@ -15282,7 +13743,6 @@
 	author = {Mahan, G. D. and Sernelius, B. E.},
 	file = {/Users/loos/Zotero/storage/IUL4DA6H/Mahan_1989.pdf},
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@@ -15295,8 +13755,6 @@
 	issn = {0026-8976, 1362-3028},
 	journal = {Mol. Phys.},
 	language = {en},
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 	pages = {593--602},
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@@ -15309,7 +13767,6 @@
 	doi = {10.1103/PhysRev.139.A796},
 	file = {/Users/loos/Zotero/storage/ZGMCVKPC/Hedin_1965.pdf},
 	journal = {Phys. Rev.},
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 	pages = {A796},
 	title = {New Method for Calculating the One-Particle {{Green}}'s Function with Application to the Electron-Gas Problem},
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 	issn = {01928651},
 	journal = {J. Comput. Chem.},
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 	title = {Explicitly Correlated Frequency-Independent Second-Order Green's Function for Accurate Ionization Energies},
@@ -15341,8 +13796,6 @@
 	issn = {1098-0121, 1550-235X},
 	journal = {Phys. Rev. B},
 	language = {en},
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 	volume = {91},
@@ -15353,7 +13806,6 @@
 	author = {Steinbeck, L. and Rubio, A. and Reining, L. and Torrent, M. and White, I. D. and Godby, R. W.},
 	file = {/Users/loos/Zotero/storage/4VL6BH4F/Steinbeck_2000.pdf},
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 	volume = {125},
@@ -15363,7 +13815,6 @@
 	author = {Hindgren, M. and Almbladh, C.-O.},
 	file = {/Users/loos/Zotero/storage/V2CSCPQJ/Hindgren_1997.pdf},
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 	title = {Improved Local-Field Corrections to the {{G}} 0 {{W}} Approximation in Jellium: {{Importance}} of Consistency Relations},
@@ -15377,8 +13828,6 @@
 	issn = {1549-9618, 1549-9626},
 	journal = {J. Chem. Theory Comput.},
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-	month = apr,
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 	pages = {1595--1606},
 	title = {General-{{Order Many}}-{{Body Green}}'s {{Function Method}}},
 	volume = {11},
@@ -15392,8 +13841,6 @@
 	issn = {0021-9606, 1089-7690},
 	journal = {J. Chem. Phys.},
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@@ -15408,8 +13855,6 @@
 	issn = {1549-9618, 1549-9626},
 	journal = {J. Chem. Theory Comput.},
 	language = {en},
-	month = feb,
-	number = {2},
 	pages = {877--883},
 	title = {Assessing {{{\emph{GW}}}} {{Approaches}} for {{Predicting Core Level Binding Energies}}},
 	volume = {14},
@@ -15423,8 +13868,6 @@
 	issn = {1050-2947, 1094-1622},
 	journal = {Phys. Rev. A},
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@@ -15437,8 +13880,6 @@
 	issn = {0021-9606, 1089-7690},
 	journal = {J. Chem. Phys.},
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 	pages = {18A511},
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 	volume = {140},
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 	issn = {1549-9618, 1549-9626},
 	journal = {J. Chem. Theory Comput.},
 	language = {en},
-	month = jan,
-	number = {1},
 	pages = {232--246},
 	shorttitle = {The {{{\emph{GW}}}} -{{Method}} for {{Quantum Chemistry Applications}}},
 	title = {The {{{\emph{GW}}}} -{{Method}} for {{Quantum Chemistry Applications}}: {{Theory}} and {{Implementation}}},
@@ -15468,8 +13907,6 @@
 	issn = {0021-9606, 1089-7690},
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@@ -15484,8 +13921,6 @@
 	issn = {0021-9606, 1089-7690},
 	journal = {J. Chem. Phys.},
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 	issn = {03010104},
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@@ -15514,8 +13947,6 @@
 	issn = {1098-0121, 1550-235X},
 	journal = {Phys. Rev. B},
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@@ -15528,8 +13959,6 @@
 	issn = {1098-0121, 1550-235X},
 	journal = {Phys. Rev. B},
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 	issn = {1089-5639, 1520-5215},
 	journal = {J. Phys. Chem. A},
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 	pages = {4514--4525},
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 	issn = {1549-9618, 1549-9626},
 	journal = {J. Chem. Theory Comput.},
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 	title = {Comparison between the {{Bethe}}\textendash{}{{Salpeter Equation}} and {{Configuration Interaction Approaches}} for {{Solving}} a {{Quantum Chemistry Problem}}: {{Calculating}} the {{Excitation Energy}} for {{Finite 1D Hubbard Chains}}},
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 	issn = {0021-9606, 1089-7690},
 	journal = {J. Chem. Phys.},
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-	month = oct,
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@@ -15591,8 +14014,6 @@
 	issn = {2469-9950, 2469-9969},
 	journal = {Phys. Rev. B},
 	language = {en},
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 	title = {Self-Consistent {{Dyson}} Equation and Self-Energy Functionals: {{An}} Analysis and Illustration on the Example of the {{Hubbard}} Atom},
@@ -15607,8 +14028,6 @@
 	issn = {0031-9007, 1079-7114},
 	journal = {Phys. Rev. Lett.},
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 	year = {2001},
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 	issn = {0163-1829, 1095-3795},
 	journal = {Phys. Rev. B},
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 	issn = {01675729},
 	journal = {Surf. Sci. Rep.},
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 	author = {Holm, Bengt and {von Barth}, Ulf},
 	file = {/Users/loos/Zotero/storage/F8I9X5AH/Holm_1998.pdf},
 	journal = {Phys. Rev. B},
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 	author = {Schindlmayr, Arno and Godby, Rex William},
 	file = {/Users/loos/Zotero/storage/S32MIQEF/Schindlmayr_1998b.pdf},
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@@ -15671,8 +14084,6 @@
 	issn = {1098-0121, 1550-235X},
 	journal = {Phys. Rev. B},
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@@ -15683,7 +14094,6 @@
 	author = {Schirmer, J. and Cederbaum, L. S. and Walter, O.},
 	file = {/Users/loos/Zotero/storage/4JXGCNBC/Schirmer_1983.pdf},
 	journal = {Phys. Rev. A},
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 	issn = {0021-9606, 1089-7690},
 	journal = {J. Chem. Phys.},
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 	title = {Intermediate State Representation Approach to Physical Properties of Electronically Excited Molecules},
 	volume = {120},
@@ -15712,8 +14120,6 @@
 	issn = {1549-9618, 1549-9626},
 	journal = {J. Chem. Theory Comput.},
 	language = {en},
-	month = dec,
-	number = {12},
 	pages = {5665--5687},
 	shorttitle = {{{{\emph{GW}}}} 100},
 	title = {{{{\emph{GW}}}} 100: {{Benchmarking}} {{{\emph{G}}}}{\textsubscript{0}}{{{\emph{W}}}}{\textsubscript{0}} for {{Molecular Systems}}},
@@ -15728,8 +14134,6 @@
 	issn = {0021-9606, 1089-7690},
 	journal = {J. Chem. Phys.},
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 	file = {/Users/loos/Zotero/storage/A2TAP2VH/Stan_2006.pdf},
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@@ -15758,8 +14160,6 @@
 	issn = {1098-0121, 1550-235X},
 	journal = {Phys. Rev. B},
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@@ -15774,8 +14174,6 @@
 	issn = {0031-9007, 1079-7114},
 	journal = {Phys. Rev. Lett.},
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 	shorttitle = {Breaking the {{Theoretical Scaling Limit}} for {{Predicting Quasiparticle Energies}}},
 	title = {Breaking the {{Theoretical Scaling Limit}} for {{Predicting Quasiparticle Energies}}: {{The Stochastic G W Approach}}},
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@@ -15789,8 +14187,6 @@
 	issn = {1549-9618, 1549-9626},
 	journal = {J. Chem. Theory Comput.},
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@@ -15802,10 +14198,8 @@
 	doi = {10.1002/wcms.1116},
 	file = {/Users/loos/Zotero/storage/46YWTF9F/Ortiz_2013.pdf},
 	issn = {17590876},
-	journal = {Wiley Interdiscip. Rev. Comput. Mol. Sci.},
+	journal = {WIREs Comput. Mol. Sci.},
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 	title = {Electron Propagator Theory: An Approach to Prediction and Interpretation in Quantum Chemistry: {{Electron}} Propagator Theory},
@@ -15820,8 +14214,6 @@
 	issn = {0031-9007, 1079-7114},
 	journal = {Phys. Rev. Lett.},
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 	issn = {0021-9606, 1089-7690},
 	journal = {J. Chem. Phys.},
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@@ -15850,8 +14240,6 @@
 	issn = {0021-9606, 1089-7690},
 	journal = {J. Chem. Phys.},
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@@ -15863,7 +14251,6 @@
 	date-modified = {2018-07-05 09:39:07 +0000},
 	doi = {10.1088/1367-2630/17/9/093045},
 	journal = {New J. Phys.},
-	number = {9},
 	pages = {093045},
 	title = {Unphysical and physical solutions in many-body theories: from weak to strong correlation},
 	volume = {17},
@@ -15873,7 +14260,6 @@
 @article{Tarantino_2018,
 	author = {Walter Tarantino and Bernardo S Mendoza and Pina Romaniello and J A Berger and Lucia Reining},
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