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@article{Mulliken_1955,
	author = {R. S. Mulliken},
	date-added = {2022-06-30 10:42:34 +0200},
	date-modified = {2022-06-30 10:43:54 +0200},
	doi = {10.1063/1.1740655},
	journal = {J. Chem. Phys.},
	pages = {1997--2011},
	title = {Report on Notation for the Spectra of Polyatomic Molecules},
	volume = {23},
	year = {1955}}

@article{Knowles_1988,
	abstract = {A new method for evaluating one-particle coupling coefficients in a general configuration interaction calculation is presented. Through repeated application and use of resolutions of the identity, two-, three- and four-body coupling coefficients and density matrices may be built in a simple and efficient way. The method is therefore of use in both multiconfiguration SCF (MC SCF) and multireference configuration interaction (MRCI) calculations. Examples show that the approach is efficient for both these applications.},
	author = {Peter J. Knowles and Hans-Joachim Werner},
	date-added = {2022-06-08 17:31:36 +0200},
	date-modified = {2022-06-08 17:31:36 +0200},
	doi = {https://doi.org/10.1016/0009-2614(88)87412-8},
	journal = {Chem. Phys. Lett.},
	number = {6},
	pages = {514-522},
	title = {An efficient method for the evaluation of coupling coefficients in configuration interaction calculations},
	volume = {145},
	year = {1988},
	bdsk-url-1 = {https://www.sciencedirect.com/science/article/pii/0009261488874128},
	bdsk-url-2 = {https://doi.org/10.1016/0009-2614(88)87412-8}}

@article{Werner_1988,
	author = {Werner,Hans‐Joachim and Knowles,Peter J.},
	date-added = {2022-06-08 17:31:36 +0200},
	date-modified = {2022-06-08 17:31:36 +0200},
	doi = {10.1063/1.455556},
	journal = {J. Chem. Phys.},
	number = {9},
	pages = {5803-5814},
	title = {An efficient internally contracted multiconfiguration--reference configuration interaction method},
	volume = {89},
	year = {1988},
	bdsk-url-1 = {https://doi.org/10.1063/1.455556}}

@article{Head-Gordon_2003,
	author = {Martin, Head-Gordon},
	doi = {10.1016/S0009-2614(03)00422-6},
	journal = {Chem. Phys. Lett.},
	number = {3},
	pages = {508-511},
	title = {Characterizing unpaired electrons from the one-particle density matrix},
	volume = {372},
	year = {2003},
	bdsk-url-1 = {https://doi.org/10.1016/S0009-2614(03)00422-6}}

@article{Orms_2018,
	author = {Natalie, Orms and Dirk.R, Rehn and Andreas, Dreuw and Anna I. Krylov},
	doi = {10.1021/acs.jctc.7b01012},
	journal = {J. Chem. Theory Comput.},
	number = {2},
	pages = {638-648},
	title = {Characterizing Bonding Patterns in Diradicals and Triradicals by Density-Based Wave Function Analysis: A Uniform Approach},
	volume = {14},
	year = {2018},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.7b01012}}

@article{Gulania_2021,
	author = {Sahil, Gulania and Eirik, F. Kj{\o}nstad and John, F. Stanton and Henrik, Koch and Anna I. Krylov},
	doi = {10.1063/5.0041822},
	journal = {J. Chem. Phys.},
	number = {11},
	pages = {114115},
	title = {Equation-of-motion coupled-cluster method with double electron-attaching operators: Theory, implementation, and benchmarks},
	volume = {154},
	year = {2021},
	bdsk-url-1 = {https://doi.org/10.1063/5.0041822}}

@article{Gururangan_2021,
	author = {Karthik, Gururangan and J. Emiliano, Deustua and Jun, Shen and Piotr,Piecuch},
	doi = {10.1063/5.0064400},
	journal = {J. Chem. Phys.},
	number = {17},
	pages = {174114},
	title = {High-level coupled-cluster energetics by merging moment expansions with selected configuration interaction},
	volume = {155},
	year = {2021},
	bdsk-url-1 = {https://doi.org/10.1063/5.0064400}}

@article{Deustua_2021,
	author = {J. Emiliano, Deustua and Jun, Shen and Piotr,Piecuch},
	doi = {10.1063/5.0045468},
	journal = {J. Chem. Phys.},
	number = {12},
	pages = {124103},
	title = {High-level coupled-cluster energetics by Monte Carlo sampling and moment expansions: Further details and comparisons},
	volume = {154},
	year = {2021},
	bdsk-url-1 = {https://doi.org/10.1063/5.0045468}}

@article{Ajala_2017,
	author = {Adeayo, O. Ajala and Jun, Shen and Piotr, Piecuch},
	date-modified = {2022-05-25 14:31:23 +0200},
	doi = {10.1021/acs.jpca.6b11393},
	journal = {J. Phys. Chem. A},
	number = {18},
	pages = {3469--3485},
	title = {Economical Doubly Electron-Attached Equation-of-Motion Coupled- Cluster Methods with an Active-Space Treatment of Three-Particle-- One-Hole and Four-Particle--Two-Hole Excitations},
	volume = {121},
	year = {2017},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jpca.6b11393}}

@article{Kancherla_2019,
	abstract = {In recent years, visible light-induced excited-state transition-metal (TM) (Mn, Co, Cu, and Pd) catalysis has attracted significant attention for the development of various chemical transformations. In contrast to metal/photoredox dual catalysis that uses conventional photosensitizers and TMs cooperatively, photoexcited-state TM catalysis uses a single TM complex as both the photocatalyst (PC) and the cross-coupling catalyst, resulting in more sustainable and efficient reactions. Unlike the outer-sphere mechanism active in conventional photocatalysis, these TM catalysts operate through a photoinduced inner-sphere mechanism in which the substrate--TM interaction is crucial for the bond-breaking or bond-forming steps, making this system an important advance in efficient carbon--carbon (C--C) bond formation reactions. Given the importance of these TM complexes as next-generation PCs with distinct mechanisms, in this review we highlight recent developments in photoexcited TM catalysis for C--C bond formation.},
	author = {Rajesh Kancherla and Krishnamoorthy Muralirajan and Arunachalam Sagadevan and Magnus Rueping},
	date-added = {2022-04-11 13:37:20 +0200},
	date-modified = {2022-04-11 13:38:06 +0200},
	doi = {https://doi.org/10.1016/j.trechm.2019.03.012},
	journal = {Trends Chem.},
	number = {5},
	pages = {510-523},
	title = {Visible Light-Induced Excited-State Transition-Metal Catalysis},
	volume = {1},
	year = {2019},
	bdsk-url-1 = {https://www.sciencedirect.com/science/article/pii/S258959741930084X},
	bdsk-url-2 = {https://doi.org/10.1016/j.trechm.2019.03.012}}

@article{Dutta_2013,
	author = {Dutta,Achintya Kumar and Pal,Sourav and Ghosh,Debashree},
	date-added = {2022-04-07 21:53:18 +0200},
	date-modified = {2022-04-07 21:53:18 +0200},
	doi = {10.1063/1.4821936},
	journal = {J. Chem. Phys.},
	number = {12},
	pages = {124116},
	title = {Perturbative approximations to single and double spin flip equation of motion coupled cluster singles doubles methods},
	volume = {139},
	year = {2013},
	bdsk-url-1 = {https://doi.org/10.1063/1.4821936}}

@article{Casanova_2009a,
	author = {Casanova,David and Slipchenko,Lyudmila V. and Krylov,Anna I. and Head-Gordon,Martin},
	date-added = {2022-04-07 21:52:59 +0200},
	date-modified = {2022-04-07 21:52:59 +0200},
	doi = {10.1063/1.3066652},
	journal = {J. Chem. Phys.},
	number = {4},
	pages = {044103},
	title = {Double spin-flip approach within equation-of-motion coupled cluster and configuration interaction formalisms: Theory, implementation, and examples},
	volume = {130},
	year = {2009},
	bdsk-url-1 = {https://doi.org/10.1063/1.3066652}}

@article{Casanova_2009b,
	abstract = {A new formulation of the spin-flip (SF) method is presented. The electronic wave function is specified by the definition of an active space and through α-to-β excitations from a Hartree--Fock reference. The method belongs to the restricted active space (RAS) family{,} where the CI expansion is restricted by classifying the molecular orbitals in three subspaces. Properties such as spin completeness{,} variationality{,} size consistency{,} size intensivity{,} and orbital invariance are discussed. The implementation and applications use a particular truncation of the wave function{,} with the inclusion of hole and particle contributions such that for fixed active space size{,} the number of amplitudes is linear in molecular size. This approach is used to investigate single and double bond-breaking{,} the singlet--triplet gap of linear acenes{,} electronic transitions in three Ni(ii) octahedral complexes{,} the low-lying states of the 2{,}5-didehydrometaxylylene (DDMX) tetraradical and the ground state multiplicity of 28 non-Kekul{\'e} structures. The results suggest that this approach can provide a quite well balanced description of nearly degenerate electronic states at moderate computational cost.},
	author = {Casanova, David and Head-Gordon, Martin},
	date-added = {2022-04-07 21:52:59 +0200},
	date-modified = {2022-04-07 21:52:59 +0200},
	doi = {10.1039/B911513G},
	journal = {Phys. Chem. Chem. Phys.},
	pages = {9779-9790},
	title = {Restricted active space spin-flip configuration interaction approach: theory{,} implementation and examples},
	volume = {11},
	year = {2009},
	bdsk-url-1 = {http://dx.doi.org/10.1039/B911513G}}

@article{Wormit_2014,
	author = {Michael Wormit and Dirk R. Rehn and Philipp H.P. Harbach and Jan Wenzel and Caroline M. Krauter and Evgeny Epifanovsky and Andreas Dreuw},
	date-added = {2022-04-07 21:30:28 +0200},
	date-modified = {2022-04-07 21:30:43 +0200},
	doi = {10.1080/00268976.2013.859313},
	journal = {Mol. Phys.},
	number = {5-6},
	pages = {774-784},
	title = {Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator},
	volume = {112},
	year = {2014},
	bdsk-url-1 = {https://doi.org/10.1080/00268976.2013.859313}}

@article{Abrams_2005,
	author = {Abrams, Micah L. and Sherrill, C. David},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +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},
	volume = {412},
	year = {2005},
	bdsk-url-1 = {https://doi.org/10.1016/j.cplett.2005.06.107}}

@article{Adamo_1999a,
	author = {Adamo, Carlo and Barone, Vincenzo},
	date-modified = {2022-03-23 11:39:34 +0100},
	doi = {10.1063/1.478522},
	file = {/Users/monino/Zotero/storage/7QH7TPEQ/Adamo et Barone - 1999 - Toward reliable density functional methods without.pdf},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = apr,
	number = {13},
	pages = {6158--6170},
	publisher = {{American Institute of Physics}},
	shorttitle = {Toward Reliable Density Functional Methods without Adjustable Parameters},
	title = {Toward Reliable Density Functional Methods without Adjustable Parameters: {{The PBE0}} Model},
	volume = {110},
	year = {1999},
	bdsk-url-1 = {https://doi.org/10.1063/1.478522}}

@article{Adamo_2013,
	author = {Adamo, C. and Jacquemin, D.},
	date-added = {2022-03-21 21:52:16 +0100},
	date-modified = {2022-03-21 21:52:16 +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{Aidas_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-modified = {2022-03-23 11:39:31 +0100},
	doi = {10.1002/wcms.1172},
	file = {/Users/monino/Zotero/storage/P5NGV3YN/Aidas et al. - 2014 - The Dalton quantum chemistry program system.pdf;/Users/monino/Zotero/storage/KEYKRMF8/wcms.html},
	issn = {1759-0884},
	journal = {WIREs Comput. Mol. Sci.},
	number = {3},
	pages = {269--284},
	title = {The {{Dalton}} Quantum Chemistry Program System},
	volume = {4},
	year = {2014},
	bdsk-url-1 = {https://doi.org/10.1002/wcms.1172}}

@article{Andersson_1990,
	author = {Andersson, Kerstin. and Malmqvist, Per Aake. and Roos, Bjoern O. and Sadlej, Andrzej J. and Wolinski, Krzysztof.},
	date-added = {2022-03-23 11:57:56 +0100},
	date-modified = {2022-03-23 11:57:56 +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},
	bdsk-url-1 = {https://doi.org/10.1021/j100377a012}}

@article{Head-Gordon_1994,
	author = {M. Head-Gordon and R. J. Rico and M. Oumi and T. J. Lee},
	date-added = {2022-04-04 22:56:17 +0200},
	date-modified = {2022-04-04 22:56:17 +0200},
	doi = {10.1016/0009-2614(94)00070-0},
	journal = {Chem. Phys. Lett.},
	pages = {21--29},
	title = {A Doubles Correction To Electronic Excited States From Configuration Interaction In The Space Of Single Substitutions},
	volume = {219},
	year = {1994},
	bdsk-url-1 = {https://doi.org/10.1016/0009-2614(94)00070-0}}

@article{Head-Gordon_1995,
	author = {Head-Gordon, M. and Maurice, D. and Oumi, M.},
	date-added = {2022-04-04 22:56:17 +0200},
	date-modified = {2022-04-04 22:56:17 +0200},
	doi = {10.1016/0009-2614(95)01111-L},
	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},
	bdsk-url-1 = {https://doi.org/10.1016/0009-2614(95)01111-L}}

@article{Andersson_1992,
	author = {Andersson, Kerstin and Malmqvist, Per-Ake and Roos, Bj{\"o}rn O.},
	date-added = {2022-03-23 11:57:56 +0100},
	date-modified = {2022-03-23 11:57:56 +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},
	bdsk-url-1 = {https://doi.org/10.1063/1.462209},
	bdsk-url-2 = {http://dx.doi.org/10.1063/1.462209}}

@article{Andersson_1993,
	author = {Andersson, Kerstin and Roos, Bj{\"o}rn O.},
	date-added = {2022-03-23 11:57:56 +0100},
	date-modified = {2022-03-23 11:57:56 +0100},
	doi = {10.1002/qua.560450610},
	journal = {Int. J. Quantum Chem.},
	number = {6},
	pages = {591--607},
	title = {Multiconfigurational Second-Order Perturbation Theory: A Test of Geometries and Binding Energies},
	volume = {45},
	year = {1993},
	bdsk-url-1 = {https://doi.org/10.1002/qua.560450610},
	bdsk-url-2 = {https://doi.org/10.1002/qua.560450610}}

@article{Andersson_1994,
	author = {Andersson, K. and Roos, B.O. and Malmqvist, Per Aake. and Widmark, P.-O.},
	date-added = {2022-03-23 11:57:56 +0100},
	date-modified = {2022-03-23 11:57:56 +0100},
	doi = {10.1016/0009-2614(94)01183-4},
	issn = {0009-2614},
	journal = {Chem. Phys. Lett.},
	number = {4},
	pages = {391--397},
	title = {The Cr{$_2$} Potential Energy Curve Studied with Multiconfigurational Second-Order Perturbation Theory},
	volume = {230},
	year = {1994},
	bdsk-url-1 = {https://doi.org/10.1016/0009-2614(94)01183-4},
	bdsk-url-2 = {https://doi.org/10.1016/0009-2614(94)01183-4}}

@article{Andersson_1995,
	author = {Andersson, K.},
	date-added = {2022-03-23 11:57:56 +0100},
	date-modified = {2022-03-23 11:57:56 +0100},
	doi = {10.1007/BF01113860},
	journal = {Theor. Chim. Acta},
	pages = {31--46},
	title = {Different Forms of the Zeroth-Order Hamiltonian in Second-Order Perturbation Theory with a Complete Active Space Self-Consistent Field Reference Function},
	volume = {91},
	year = {1995},
	bdsk-url-1 = {https://doi.org/10.1007/BF01113860}}

@article{Angeli_2001,
	author = {Angeli, Celestino and Cimiraglia, Renzo and Malrieu, Jean-Paul},
	date-modified = {2022-03-23 11:39:37 +0100},
	doi = {10.1016/S0009-2614(01)01303-3},
	file = {/Users/monino/Zotero/storage/TLCFMAR5/Angeli et al. - 2001 - N-electron valence state perturbation theory a fa.pdf;/Users/monino/Zotero/storage/FNM6L8SE/S0009261401013033.html},
	issn = {0009-2614},
	journal = {Chem. Phys. Lett.},
	langid = {english},
	month = dec,
	number = {3},
	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_2001a,
	author = {Angeli, C. and Cimiraglia, R. and Evangelisti, S. and Leininger, T. and Malrieu, J.-P.},
	date-modified = {2022-03-23 11:39:39 +0100},
	doi = {10.1063/1.1361246},
	file = {/Users/monino/Zotero/storage/T3CFK9B2/Angeli et al. - 2001 - Introduction of n-electron valence states for mult.pdf},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = jun,
	number = {23},
	pages = {10252--10264},
	publisher = {{American Institute of Physics}},
	title = {Introduction of 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-modified = {2022-03-23 11:39:47 +0100},
	doi = {10.1063/1.1515317},
	file = {/Users/monino/Zotero/storage/EJAG6JHM/Angeli et al. - 2002 - n-electron valence state perturbation theory A sp.pdf;/Users/monino/Zotero/storage/U54ZW8SQ/1.html},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = nov,
	number = {20},
	pages = {9138--9153},
	publisher = {{American Institute of Physics}},
	shorttitle = {N-Electron Valence State Perturbation Theory},
	title = {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_2003,
	author = {Angeli, Celestino and Calzado, Carmen J. and Cimiraglia, Renzo and Evangelisti, Stefano and Guih{\'e}ry, Nathalie and Leininger, Thierry and Malrieu, Jean-Paul and Maynau, Daniel and Ruiz, Jos{\'e} Vicente Pitarch and Sparta, Manuel},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1080/0026897031000082149},
	issn = {0026-8976},
	journal = {Mol. Phys.},
	month = may,
	number = {9},
	pages = {1389--1398},
	publisher = {{Taylor \& Francis}},
	title = {The Use of Local Orbitals in Multireference Calculations},
	volume = {101},
	year = {2003},
	bdsk-url-1 = {https://doi.org/10.1080/0026897031000082149}}

@article{Angeli_2009,
	author = {Angeli, Celestino},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1002/jcc.21155},
	issn = {0192-8651},
	journal = {J. Comput. Chem.},
	month = jun,
	number = {8},
	pages = {1319--1333},
	publisher = {{John Wiley \& Sons, Ltd}},
	title = {On the Nature of the {$\pi$} \textrightarrow{} {$\pi$} Ionic Excited States: {{The V}} State of Ethene as a Prototype},
	volume = {30},
	year = {2009},
	bdsk-url-1 = {https://doi.org/10.1002/jcc.21155}}

@article{Aroeira_2021,
	author = {Aroeira, Gustavo J. R. and Davis, Madeline M. and Turney, Justin M. and Schaefer, Henry F.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/acs.jctc.0c00888},
	journal = {J. Chem. Theory Comput.},
	number = {1},
	pages = {182--190},
	title = {Coupled Cluster Externally Corrected by Adaptive Configuration Interaction},
	volume = {17},
	year = {2021},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.0c00888}}

@article{Baeyer_1885,
	author = {Baeyer, Adolf},
	copyright = {Copyright \textcopyright{} 1885 WILEY-VCH Verlag GmbH \& Co. KGaA, Weinheim},
	date-modified = {2022-03-23 11:50:16 +0100},
	doi = {10.1002/cber.18850180296},
	file = {/Users/monino/Zotero/storage/NSN6RC98/Baeyer - 1885 - Ueber Polyacetylenverbindungen.pdf;/Users/monino/Zotero/storage/NSYNK2S2/cber.html},
	issn = {1099-0682},
	journal = {Berichte Dtsch. Chem. Ges.},
	langid = {english},
	number = {2},
	pages = {2269--2281},
	title = {Ueber {{Polyacetylenverbindungen}}},
	volume = {18},
	year = {1885},
	bdsk-url-1 = {https://doi.org/10.1002/cber.18850180296}}

@article{Balkova_1994,
	author = {Balkov{\'a}, A. and Bartlett, Rodney J.},
	copyright = {\textcopyright{} 1994 American Institute of Physics.},
	date-modified = {2022-03-23 11:50:19 +0100},
	doi = {10.1063/1.468025},
	file = {/Users/monino/Zotero/storage/CK9MHUDG/1.html},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	langid = {english},
	month = aug,
	number = {10},
	pages = {8972},
	publisher = {{American Institute of PhysicsAIP}},
	title = {A Multireference Coupled-Cluster Study of the Ground State and Lowest Excited States of Cyclobutadiene},
	volume = {101},
	year = {1994},
	bdsk-url-1 = {https://doi.org/10.1063/1.468025}}

@article{Bally_1980,
	author = {Bally, Thomas and Masamune, Satoru},
	date-modified = {2022-03-23 11:50:23 +0100},
	doi = {10.1016/0040-4020(80)87003-7},
	file = {/Users/monino/Zotero/storage/YGHLAFZW/Bally et Masamune - 1980 - Cyclobutadiene.pdf;/Users/monino/Zotero/storage/4AS8BH65/0040402080870037.html},
	issn = {0040-4020},
	journal = {Tetrahedron},
	langid = {english},
	month = jan,
	number = {3},
	pages = {343--370},
	title = {Cyclobutadiene},
	volume = {36},
	year = {1980},
	bdsk-url-1 = {https://doi.org/10.1016/0040-4020(80)87003-7}}

@article{Banerjee_2016,
	author = {Banerjee, Debi and Mondal, Monosij and Chattopadhyay, Sudip and Mahapatra, Uttam Sinha},
	date-modified = {2022-03-23 11:50:25 +0100},
	doi = {10.1080/00268976.2016.1142126},
	file = {/Users/monino/Zotero/storage/MRDGI3I5/00268976.2016.html},
	issn = {0026-8976},
	journal = {Mol. Phys.},
	month = may,
	number = {10},
	pages = {1591--1608},
	publisher = {{Taylor \& Francis}},
	shorttitle = {A State-Specific Multi-Reference Coupled-Cluster Approach with a Cost-Effective Treatment of Connected Triples},
	title = {A State-Specific Multi-Reference Coupled-Cluster Approach with a Cost-Effective Treatment of Connected Triples: {{Implementation}} to Geometry Optimisation},
	volume = {114},
	year = {2016},
	bdsk-url-1 = {https://doi.org/10.1080/00268976.2016.1142126}}

@article{Barca_2018a,
	author = {Barca, Giuseppe M. J. and Gilbert, Andrew T. B. and Gill, Peter M. W.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/acs.jctc.7b00994},
	journal = {J. Chem. Theory. Comput.},
	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{Bartlett_2007,
	author = {Bartlett, Rodney J. and Musia{\l}, Monika},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1103/RevModPhys.79.291},
	journal = {Rev. Mod. Phys.},
	pages = {291--352},
	title = {Coupled-Cluster Theory in Quantum Chemistry},
	volume = {79},
	year = {2007},
	bdsk-url-1 = {https://doi.org/10.1103/RevModPhys.79.291}}

@article{becke_1988b,
	author = {Becke, A. D.},
	doi = {10.1103/PhysRevA.38.3098},
	file = {/Users/monino/Zotero/storage/969CGV3X/Becke - 1988 - Density-functional exchange-energy approximation w.pdf;/Users/monino/Zotero/storage/4YFHHLUE/PhysRevA.38.html},
	journal = {Phys. Rev. A},
	month = sep,
	number = {6},
	pages = {3098--3100},
	publisher = {{American Physical Society}},
	title = {Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behavior},
	volume = {38},
	year = {1988},
	bdsk-url-1 = {https://doi.org/10.1103/PhysRevA.38.3098}}

@article{Becke_1993b,
	author = {Becke, Axel D.},
	date-modified = {2022-03-23 11:50:29 +0100},
	doi = {10.1063/1.464913},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = apr,
	number = {7},
	pages = {5648--5652},
	publisher = {{American Institute of Physics}},
	title = {Density-Functional Thermochemistry. {{III}}. {{The}} Role of Exact Exchange},
	volume = {98},
	year = {1993},
	bdsk-url-1 = {https://doi.org/10.1063/1.464913}}

@article{BenAmor_2011,
	author = {Ben Amor, Nadia and Bessac, Fabienne and Hoyau, Sophie and Maynau, Daniel},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.3600351},
	journal = {J. Chem. Phys.},
	pages = {014101},
	title = {Direct Selected Multireference Configuration Interaction Calculations for Large Systems Using Localized Orbitals},
	volume = {135},
	year = {2011},
	bdsk-url-1 = {https://doi.org/10.1063/1.3600351}}

@article{BenAmor_2020,
	author = {Ben Amor, Nadia and No{\^u}s, Camille and Trinquier, Georges and Malrieu, Jean-Paul},
	date-added = {2022-03-30 22:17:29 +0200},
	date-modified = {2022-03-30 22:17:45 +0200},
	doi = {10.1063/5.0011582},
	journal = {J. Chem. Phys},
	number = {4},
	pages = {044118},
	title = {Spin Polarization as an Electronic Cooperative Effect},
	volume = {153},
	year = {2020},
	bdsk-url-1 = {https://doi.org/10.1063/5.0011582}}

@article{Bender_1969,
	author = {Bender, Charles F. and Davidson, Ernest R.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1103/physrev.183.23},
	issn = {0031-899X},
	journal = {Phys. Rev.},
	pages = {23--30},
	publisher = {{American Physical Society (APS)}},
	title = {Studies in Configuration Interaction: {{The}} First-Row Diatomic Hydrides},
	volume = {183},
	year = {1969},
	bdsk-url-1 = {https://doi.org/10.1103/physrev.183.23}}

@article{Bernardi_1990,
	author = {Bernardi, Fernando and De, Sushovan and Olivucci, Massimo and Robb, Michael A.},
	date-added = {2022-03-21 21:36:27 +0100},
	date-modified = {2022-03-21 21:36:27 +0100},
	doi = {10.1021/ja00161a013},
	issn = {0002-7863},
	journal = {J. Am. Chem. Soc.},
	langid = {english},
	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 = {2022-03-21 21:36:32 +0100},
	date-modified = {2022-03-21 21:56:59 +0100},
	doi = {10.1039/cs9962500321},
	issn = {0306-0012, 1460-4744},
	journal = {Chem. Soc. Rev.},
	langid = {english},
	number = {5},
	pages = {321-328},
	title = {Potential Energy Surface Crossings in Organic Photochemistry},
	volume = {25},
	year = {1996},
	bdsk-url-1 = {https://doi.org/10.1039/cs9962500321}}

@article{Blase_2020,
	author = {Blase, X. and Duchemin, I. and Jacquemin, D. and Loos, P. F.},
	date-added = {2022-03-21 21:52:35 +0100},
	date-modified = {2022-03-21 21:52:35 +0100},
	doi = {10.1021/acs.jpclett.0c01875},
	journal = {J. Phys. Chem. Lett.},
	pages = {7371-7382},
	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{Blunt_2015,
	author = {Blunt, N. S. and Smart, Simon D. and Booth, George H. and Alavi, Ali},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.4932595},
	issn = {0021-9606, 1089-7690},
	journal = {J. Chem. Phys.},
	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{Boggio-Pasqua_2000,
	author = {{Boggio-Pasqua}, M. and Voronin, A.I. and Halvick, Ph. and Rayez, J.-C.},
	date-added = {2022-03-21 21:36:41 +0100},
	date-modified = {2022-03-21 21:36:41 +0100},
	doi = {10.1016/S0166-1280(00)00442-5},
	issn = {01661280},
	journal = {J. Mol. Struct. THEOCHEM},
	langid = {english},
	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 = {2022-03-21 21:36:41 +0100},
	date-modified = {2022-03-21 21:36:41 +0100},
	doi = {10.1063/1.1690756},
	issn = {0021-9606, 1089-7690},
	journal = {J. Chem. Phys.},
	langid = {english},
	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 = {2022-03-21 21:36:41 +0100},
	date-modified = {2022-03-21 21:36:41 +0100},
	doi = {10.1021/jo070452v},
	issn = {0022-3263, 1520-6904},
	journal = {J. Org. Chem.},
	langid = {english},
	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{Booth_2009,
	author = {Booth, George H. and Thom, Alex J. W. and Alavi, Ali},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.3193710},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	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},
	volume = {131},
	year = {2009},
	bdsk-url-1 = {https://doi.org/10.1063/1.3193710},
	bdsk-url-2 = {http://dx.doi.org/10.1063/1.3193710}}

@article{Booth_2010,
	author = {Booth, George H. and Alavi, Ali},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +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},
	volume = {132},
	year = {2010},
	bdsk-url-1 = {https://doi.org/10.1063/1.3407895},
	bdsk-url-2 = {https://doi.org/10.1063/1.3407895}}

@article{Booth_2011,
	author = {Booth, George H. and Cleland, Deidre and Thom, Alex J. W. and Alavi, Ali},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.3624383},
	issn = {0021-9606, 1089-7690},
	journal = {J. Chem. Phys.},
	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{Born_1927,
	author = {Born, M. and Oppenheimer, R.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1002/andp.19273892002},
	journal = {Ann. Phys.},
	number = {20},
	pages = {457--484},
	title = {Zur Quantentheorie Der Molekeln},
	volume = {389},
	year = {1927},
	bdsk-url-1 = {https://doi.org/10.1002/andp.19273892002},
	bdsk-url-2 = {https://doi.org/10.1002/andp.19273892002}}

@article{Boys_1960,
	author = {Foster, J. M. and Boys, S. F.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1103/RevModPhys.32.300},
	journal = {Rev. Mod. Phys.},
	pages = {300},
	title = {Canonical Configurational Interaction Procedure},
	volume = {32},
	year = {1960},
	bdsk-url-1 = {https://doi.org/10.1103/RevModPhys.32.300}}

@article{Bozkaya_2011,
	author = {Bozkaya, U{\u g}ur and Turney, Justin M. and Yamaguchi, Yukio and Schaefer, Henry F. and Sherrill, C. David},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.3631129},
	journal = {J. Chem. Phys.},
	number = {10},
	pages = {104103},
	title = {Quadratically Convergent Algorithm for Orbital Optimization in the Orbital-Optimized Coupled-Cluster Doubles Method and in Orbital-Optimized Second-Order {{M\o ller-Plesset}} Perturbation Theory},
	volume = {135},
	year = {2011},
	bdsk-url-1 = {https://doi.org/10.1063/1.3631129}}

@article{Buenker_1974,
	author = {Buenker, Robert J. and Peyerimhoff, Sigrid D.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1007/BF02394557},
	issn = {1432-2234},
	journal = {Theor. Chim. Acta},
	month = aug,
	number = {1},
	pages = {33--58},
	publisher = {{Springer-Verlag}},
	title = {Individualized Configuration Selection in {{CI}} Calculations with Subsequent Energy Extrapolation},
	volume = {35},
	year = {1974},
	bdsk-url-1 = {https://doi.org/10.1007/BF02394557}}

@article{Buenker_1978,
	author = {Buenker, Rj and Peyerimhoff, Sd and Butscher, W},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1080/00268977800100581},
	journal = {Mol. Phys.},
	number = {3},
	pages = {771--791},
	title = {Applicability of Multi-Reference Double-Excitation Ci (Mrd-Ci) Method to Calculation of Electronic Wavefunctions and Comparison with Related Techniques},
	volume = {35},
	year = {1978},
	bdsk-url-1 = {https://doi.org/10.1080/00268977800100581}}

@article{Bunge_2006,
	author = {Bunge, Carlos F. and {Carb{\'o}-Dorca}, Ramon},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.2207621},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = jul,
	number = {1},
	pages = {014108},
	title = {Select-Divide-and-Conquer Method for Large-Scale Configuration Interaction},
	volume = {125},
	year = {2006},
	bdsk-url-1 = {https://doi.org/10.1063/1.2207621},
	bdsk-url-2 = {http://dx.doi.org/10.1063/1.2207621}}

@article{Caffarel_2014,
	author = {Caffarel, Michel and Giner, Emmanuel and Scemama, Anthony and {Ram{\'\i}rez-Sol{\'\i}s}, Alejandro},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +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}}\textendash{{Fock}}, Density Functional Theory, and Quantum Monte Carlo Study of the {{CuCl}}{$_2$} Molecule},
	volume = {10},
	year = {2014},
	bdsk-url-1 = {https://doi.org/10.1021/ct5004252}}

@article{Caffarel_2016a,
	author = {Caffarel, Michel and Applencourt, Thomas and Giner, Emmanuel and Scemama, Anthony},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	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}}

@incollection{Caffarel_2016b,
	author = {Caffarel, Michel and Applencourt, Thomas and Giner, Emmanuel and Scemama, Anthony},
	booktitle = {Recent Progress in Quantum Monte Carlo},
	chapter = {2},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/bk-2016-1234.ch002},
	pages = {15--46},
	title = {Using {{CIPSI}} Nodes in Diffusion Monte Carlo},
	bdsk-url-1 = {https://doi.org/10.1021/bk-2016-1234.ch002},
	bdsk-url-2 = {https://doi.org/10.1021/bk-2016-1234.ch002}}

@article{Casanova_2008,
	author = {Casanova, David and {Head-Gordon}, Martin},
	date-added = {2022-03-23 11:55:53 +0100},
	date-modified = {2022-03-23 11:55:53 +0100},
	doi = {10.1063/1.2965131},
	journal = {J. Chem. Phys.},
	number = {6},
	pages = {064104},
	title = {The Spin-Flip Extended Single Excitation Configuration Interaction Method},
	volume = {129},
	year = {2008},
	bdsk-url-1 = {https://doi.org/10.1063/1.2965131}}

@article{Casanova_2020,
	author = {Casanova, D. and Krylov, A. I.},
	date-added = {2022-03-23 11:46:41 +0100},
	date-modified = {2022-03-23 11:46:41 +0100},
	doi = {10.1039/c9cp06507e},
	journal = {Phys. Chem. Chem. Phys.},
	pages = {4326-4342},
	title = {Spin-Flip Methods in Quantum Chemistry},
	volume = {22},
	year = {2020},
	bdsk-url-1 = {https://doi.org/10.1039/c9cp06507e}}

@incollection{Casida_1995,
	author = {Casida, Mark E.},
	booktitle = {Recent {{Advances}} in {{Density Functional Methods}}},
	date-modified = {2022-03-23 11:50:37 +0100},
	doi = {10.1142/9789812830586_0005},
	isbn = {978-981-02-2442-4},
	month = nov,
	pages = {155--192},
	publisher = {{WORLD SCIENTIFIC}},
	series = {Recent {{Advances}} in {{Computational Chemistry}}},
	title = {Time-{{Dependent Density Functional Response Theory}} for {{Molecules}}},
	volume = {Volume 1},
	year = {1995},
	bdsk-url-1 = {https://doi.org/10.1142/9789812830586_0005}}

@article{Cave_2004,
	author = {Cave, Robert J. and Zhang, Fan and Maitra, Neepa T. and Burke, Kieron},
	date-added = {2022-03-23 10:47:01 +0100},
	date-modified = {2022-03-23 10:47:01 +0100},
	doi = {10.1016/j.cplett.2004.03.051},
	issn = {00092614},
	journal = {Chem. Phys. Lett.},
	langid = {english},
	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}}

@article{Ceperley_1991,
	author = {Ceperley, D. M.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1007/BF01030009},
	journal = {J. Stat. Phys.},
	pages = {1237},
	title = {Fermion Nodes},
	volume = {63},
	year = {1991},
	bdsk-url-1 = {https://doi.org/10.1007/BF01030009}}

@article{Chan_2011,
	author = {Chan, Garnet Kin-Lic and Sharma, Sandeep},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1146/annurev-physchem-032210-103338},
	journal = {Annu. Rev. Phys. Chem.},
	pages = {465--481},
	title = {The Density Matrix Renormalization Group in Quantum Chemistry},
	volume = {62},
	year = {2011},
	bdsk-url-1 = {https://doi.org/10.1146/annurev-physchem-032210-103338}}

@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 = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/acs.jpca.8b01554},
	issn = {1089-5639, 1520-5215},
	journal = {J. Phys. Chem. A},
	langid = {english},
	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{Chilkuri_2021,
	author = {Chilkuri, Vijay Gopal and Applencourt, Thomas and Gasperich, Kevin and Loos, Pierre-Fran{\c c}ois and Scemama, Anthony},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1016/bs.aiq.2021.04.001},
	journal = {Adv. Quantum Chem.},
	pages = {in press},
	publisher = {{Academic Press}},
	title = {Spin-Adapted Selected Configuration Interaction in a Determinant Basis},
	year = {2021},
	bdsk-url-1 = {https://doi.org/10.1016/bs.aiq.2021.04.001},
	bdsk-url-2 = {https://doi.org/10.1016/bs.aiq.2021.04.001}}

@article{Chrayteh_2021,
	author = {Chrayteh, A. and Blondel, A. and Loos, P. F. and Jacquemin, D.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/acs.jctc.0c01111},
	journal = {J. Chem. Theory Comput.},
	pages = {416--438},
	title = {A Mountaineering Strategy to Excited States: Highly-Accurate Oscillator Strengths and Dipole Moments of Small Molecules},
	volume = {17},
	year = {2021},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.0c01111}}

@article{Christiansen_1995,
	author = {Christiansen, Ove and Koch, Henrik and Jo/rgensen, Poul},
	date-modified = {2022-03-23 11:47:06 +0100},
	doi = {10.1063/1.470315},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = nov,
	number = {17},
	pages = {7429--7441},
	publisher = {{American Institute of Physics}},
	title = {Response Functions in the {{CC3}} Iterative Triple Excitation Model},
	volume = {103},
	year = {1995},
	bdsk-url-1 = {https://doi.org/10.1063/1.470315}}

@article{Christiansen_1996b,
	author = {Christiansen, Ove and Koch, Henrik and J{\o}rgensen, Poul},
	date-added = {2022-03-30 15:45:28 +0200},
	date-modified = {2022-03-30 15:45:28 +0200},
	doi = {10.1063/1.472007},
	eprint = {http://dx.doi.org/10.1063/1.472007},
	journal = {J. Chem. Phys.},
	pages = {1451--1459},
	title = {Perturbative Triple Excitation Corrections to Coupled Cluster Singles and Doubles Excitation Energies},
	volume = {105},
	year = {1996},
	bdsk-url-1 = {https://doi.org/10.1063/1.472007}}

@article{Christiansen_1998,
	author = {Christiansen, Ove and J{\o}rgensen, Poul and H{\"a}ttig, Christof},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1002/(SICI)1097-461X(1998)68:1<1::AID-QUA1>3.0.CO;2-Z},
	journal = {Int. J. Quantum Chem.},
	pages = {1--52},
	title = {Response Functions from Fourier Component Variational Perturbation Theory Applied to a Time-Averaged Quasienergy},
	volume = {68},
	year = {1998},
	bdsk-url-1 = {https://doi.org/10.1002/(SICI)1097-461X(1998)68:1%3C1::AID-QUA1%3E3.0.CO;2-Z}}

@article{Cimiraglia_1985,
	author = {Cimiraglia, Renzo},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.449362},
	issn = {0021-9606, 1089-7690},
	journal = {J. Chem. Phys.},
	langid = {english},
	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},
	volume = {83},
	year = {1985},
	bdsk-url-1 = {https://doi.org/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 = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	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{Cizek_1966,
	author = {{\v C}{\'\i}{\v z}ek, Ji{\v r}{\'\i}},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.1727484},
	journal = {J. Chem. Phys.},
	pages = {4256--4266},
	publisher = {{American Institute of Physics}},
	title = {On the {{Correlation Problem}} in {{Atomic}} and {{Molecular Systems}}. {{Calculation}} of {{Wavefunction Components}} in {{Ursell-Type Expansion Using Quantum-Field Theoretical Methods}}},
	volume = {45},
	year = {1966},
	bdsk-url-1 = {https://doi.org/10.1063/1.1727484}}

@article{Cleland_2010,
	author = {Cleland, Deidre and Booth, George H. and Alavi, Ali},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +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}}},
	volume = {132},
	year = {2010},
	bdsk-url-1 = {https://doi.org/10.1063/1.3302277},
	bdsk-url-2 = {https://doi.org/10.1063/1.3302277}}

@article{Coe_2018,
	author = {Coe, J. P.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/acs.jctc.8b00849},
	journal = {J. Chem. Theory Comput.},
	pages = {5739-5749},
	title = {Machine Learning Configuration Interaction},
	volume = {14},
	year = {2018},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.8b00849}}

@article{Comeau_1993,
	author = {Comeau, Donald C. and Bartlett, Rodney J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1016/0009-2614(93)89023-B},
	journal = {Chem. Phys. Lett.},
	number = {4},
	pages = {414--423},
	title = {The Equation-of-Motion Coupled-Cluster Method. {{Applications}} to Open- and Closed-Shell Reference States},
	volume = {207},
	year = {1993},
	bdsk-url-1 = {https://doi.org/10.1016/0009-2614(93)89023-B},
	bdsk-url-2 = {https://doi.org/10.1016/0009-2614(93)89023-B}}

@incollection{Crawford_2000,
	author = {Crawford, T. Daniel and Schaefer, Henry F.},
	booktitle = {Reviews in {{Computational Chemistry}}},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1002/9780470125915.ch2},
	isbn = {978-0-470-12591-5},
	pages = {33--136},
	publisher = {{John Wiley \& Sons, Ltd}},
	title = {An {{Introduction}} to {{Coupled Cluster Theory}} for {{Computational Chemists}}},
	year = {2000},
	bdsk-url-1 = {https://doi.org/10.1002/9780470125915.ch2}}

@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 = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:51:12 +0100},
	doi = {10.1002/wcms.1172},
	issn = {1759-0884},
	journal = {WIREs Comput. Mol. Sci.},
	pages = {269--284},
	title = {The Dalton Quantum Chemistry Program System},
	volume = {4},
	year = {2014},
	bdsk-url-1 = {https://doi.org/10.1002/wcms.1172}}

@article{Damour_2021,
	author = {Damour, Yann and V{\'e}ril, Micka{\"e}l and Kossoski, F{\'a}bris and Caffarel, Michel and Jacquemin, Denis and Scemama, Anthony and Loos, Pierre-Fran{\c c}ois},
	date-added = {2022-03-23 22:00:31 +0100},
	date-modified = {2022-03-23 22:00:31 +0100},
	doi = {10.1063/5.0065314},
	journal = {J. Chem. Phys.},
	number = {13},
	pages = {134104},
	title = {Accurate Full Configuration Interaction Correlation Energy Estimates for Five- and Six-Membered Rings},
	volume = {155},
	year = {2021},
	bdsk-url-1 = {https://doi.org/10.1063/5.0065314}}

@article{Dash_2018,
	author = {Dash, Monika and Moroni, Saverio and Scemama, Anthony and Filippi, Claudia},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/acs.jctc.8b00393},
	issn = {1549-9618},
	journal = {J. Chem. Theory Comput.},
	month = aug,
	number = {8},
	pages = {4176--4182},
	publisher = {{American Chemical Society}},
	title = {Perturbatively Selected Configuration-Interaction Wave Functions for Efficient Geometry Optimization in Quantum Monte Carlo},
	volume = {14},
	year = {2018},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.8b00393}}

@article{Dash_2019,
	author = {Dash, Monika and Feldt, Jonas and Moroni, Saverio and Scemama, Anthony and Filippi, Claudia},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	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{Dash_2021,
	author = {Dash, Monika and Moroni, Saverio and Filippi, Claudia and Scemama, Anthony},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/acs.jctc.1c00212},
	journal = {J. Chem. Theory Comput.},
	number = {6},
	pages = {3426--3434},
	title = {Tailoring {{CIPSI}} Expansions for {{QMC}} Calculations of Electronic Excitations: {{The}} Case Study of Thiophene},
	volume = {17},
	year = {2021},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.1c00212}}

@article{Davidson_1975,
	author = {Davidson, E. R.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1016/0021-9991(75)90065-0},
	journal = {J. Comput. Phys.},
	pages = {87--94},
	title = {The Iterative Calculation of a Few of the Lowest Eigenvalues and Corresponding Eigenvectors of Large Real-Symmetric Matrices},
	volume = {17},
	year = {1975},
	bdsk-url-1 = {https://doi.org/10.1016/0021-9991(75)90065-0}}

@article{Davidson_1996,
	author = {Davidson, Ernest R.},
	date-added = {2022-03-30 22:16:35 +0200},
	date-modified = {2022-03-30 22:17:55 +0200},
	doi = {10.1021/jp952794n},
	journal = {J. Phys. Chem},
	number = {15},
	pages = {6161--6166},
	title = {The Spatial Extent of the v State of Ethylene and Its Relation to Dynamic Correlation in the Cope Rearrangement},
	volume = {100},
	year = {1996},
	bdsk-url-1 = {https://doi.org/10.1021/jp952794n}}

@article{Delgado_2010,
	author = {Delgado, Juan Luis and Bouit, Pierre-Antoine and Filippone, Salvatore and Herranz, Ma{\'A}ngeles and Mart{\'\i}n, Nazario},
	date-added = {2022-03-21 21:36:00 +0100},
	date-modified = {2022-03-21 21:36:00 +0100},
	doi = {10.1039/c003088k},
	issn = {1359-7345, 1364-548X},
	journal = {Chem. Comm.},
	langid = {english},
	number = {27},
	pages = {4853-4865},
	shorttitle = {Organic Photovoltaics},
	title = {Organic Photovoltaics: {{A}} Chemical Approach},
	volume = {46},
	year = {2010},
	bdsk-url-1 = {https://doi.org/10.1039/c003088k}}

@article{Deustua_2017,
	author = {Deustua, J. Emiliano and Shen, Jun and Piecuch, Piotr},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +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://doi.org/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 = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.5055769},
	journal = {J. Chem. Phys.},
	pages = {151101},
	title = {Communication: {{Approaching}} Ex- Act 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{Dreuw_2005,
	author = {Dreuw, Andreas and {Head-Gordon}, Martin},
	date-added = {2022-03-21 21:51:34 +0100},
	date-modified = {2022-03-21 21:51:34 +0100},
	doi = {10.1021/cr0505627},
	issn = {0009-2665, 1520-6890},
	journal = {Chem. Rev.},
	langid = {english},
	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://doi.org/10.1021/cr0505627}}

@article{Dreuw_2015,
	author = {Dreuw, Andreas and Wormit, Michael},
	date-modified = {2022-04-07 21:29:43 +0200},
	doi = {10.1002/wcms.1206},
	journal = {WIREs Comput. Mol. Sci.},
	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://doi.org/10.1002/wcms.1206}}

@article{dunning_1989,
	author = {Dunning, Thom H.},
	doi = {10.1063/1.456153},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = jan,
	number = {2},
	pages = {1007--1023},
	publisher = {{American Institute of Physics}},
	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{Eckert-Maksic_2006,
	author = {{Eckert-Maksi{\'c}}, Mirjana and Vazdar, Mario and Barbatti, Mario and Lischka, Hans and Maksi{\'c}, Zvonimir B.},
	date-modified = {2022-03-23 11:50:53 +0100},
	doi = {10.1063/1.2222366},
	file = {/Users/monino/Zotero/storage/N5X27X5W/1.html},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = aug,
	number = {6},
	pages = {064310},
	publisher = {{American Institute of Physics}},
	shorttitle = {Automerization Reaction of Cyclobutadiene and Its Barrier Height},
	title = {Automerization Reaction of Cyclobutadiene and Its Barrier Height: {{An}} Ab Initio Benchmark Multireference Average-Quadratic Coupled Cluster Study},
	volume = {125},
	year = {2006},
	bdsk-url-1 = {https://doi.org/10.1063/1.2222366}}

@article{Elliott_2011,
	author = {Elliott, Peter and Goldson, Sharma and Canahui, Chris and Maitra, Neepa T.},
	date-added = {2022-03-23 10:47:28 +0100},
	date-modified = {2022-03-23 10:47:28 +0100},
	doi = {10.1016/j.chemphys.2011.03.020},
	issn = {03010104},
	journal = {Chem. Phys.},
	langid = {english},
	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{Emrich_1981,
	author = {Emrich, K.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1016/0375-9474(81)90179-2},
	journal = {Nuc. Phys. A},
	number = {3},
	pages = {379--396},
	title = {An Extension of the Coupled Cluster Formalism to Excited States ({{I}})},
	volume = {351},
	year = {1981},
	bdsk-url-1 = {https://doi.org/10.1016/0375-9474(81)90179-2},
	bdsk-url-2 = {https://doi.org/10.1016/0375-9474(81)90179-2}}

@article{Eriksen_2017,
	author = {Eriksen, J. J. and Lipparini, F. and Gauss, J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +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 = {Eriksen, J. J. and Gauss, J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +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_2019,
	author = {Eriksen, J. J. and Gauss, J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +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_2019a,
	author = {Eriksen, J. J. and Gauss, J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +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 = {Eriksen, J. J. and Gauss, J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +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 = {Eriksen, Janus J. and Anderson, Tyler A. and Deustua, J. Emiliano and Ghanem, Khaldoon and Hait, Diptarka and Hoffmann, Mark R. and Lee, Seunghoon and Levine, Daniel S. and Magoulas, Ilias and Shen, Jun and Tubman, Norman M. and Whaley, K. Birgitta and Xu, Enhua and Yao, Yuan and Zhang, Ning and Alavi, Ali and Chan, Garnet Kin-Lic and {Head-Gordon}, Martin and Liu, Wenjian and Piecuch, Piotr and Sharma, Sandeep and {Ten-no}, Seiichiro L. and Umrigar, C. J. and Gauss, J{\"u}rgen},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +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{Eriksen_2021,
	author = {Eriksen, Janus J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/acs.jpclett.0c03225},
	journal = {J. Phys. Chem. Lett.},
	number = {1},
	pages = {418--432},
	title = {The Shape of Full Configuration Interaction to Come},
	volume = {12},
	year = {2021},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jpclett.0c03225}}

@article{Ermer_1983,
	author = {Ermer, Otto and Heilbronner, Edgar},
	copyright = {Copyright \textcopyright{} 1983 by Verlag Chemie, GmbH, Germany},
	date-modified = {2022-03-23 11:50:57 +0100},
	doi = {10.1002/anie.198304021},
	file = {/Users/monino/Zotero/storage/NZGUUR4K/Ermer et Heilbronner - 1983 - Three Arguments Supporting a Rectangular Structure.pdf;/Users/monino/Zotero/storage/FEX6ABAS/anie.html},
	issn = {1521-3773},
	journal = {Angew. Chem. Int. Ed. Engl.},
	langid = {english},
	number = {5},
	pages = {402--403},
	title = {Three {{Arguments Supporting}} a {{Rectangular Structure}} for {{Tetra-tert-butylcyclobutadiene}}},
	volume = {22},
	year = {1983},
	bdsk-url-1 = {https://doi.org/10.1002/anie.198304021}}

@article{Ernzerhof_1999,
	author = {Ernzerhof, Matthias and Scuseria, Gustavo E.},
	date-modified = {2022-03-23 11:50:59 +0100},
	doi = {10.1063/1.478401},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = mar,
	number = {11},
	pages = {5029--5036},
	publisher = {{American Institute of Physics}},
	title = {Assessment of the {{Perdew}}\textendash{{Burke}}\textendash{{Ernzerhof}} Exchange-Correlation Functional},
	volume = {110},
	year = {1999},
	bdsk-url-1 = {https://doi.org/10.1063/1.478401}}

@article{Evangelista_2014,
	author = {Evangelista, Francesco A.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +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},
	volume = {140},
	year = {2014},
	bdsk-url-1 = {https://doi.org/10.1063/1.4869192}}

@article{Evangelisti_1983,
	author = {Evangelisti, Stefano and Daudey, Jean-Pierre and Malrieu, Jean-Paul},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1016/0301-0104(83)85011-3},
	journal = {Chem. Phys.},
	month = feb,
	number = {1},
	pages = {91--102},
	publisher = {{Elsevier BV}},
	title = {Convergence of an Improved {{CIPSI}} Algorithm},
	volume = {75},
	year = {1983},
	bdsk-url-1 = {https://doi.org/10.1016/0301-0104(83)85011-3},
	bdsk-url-2 = {https://doi.org/10.1016/0301-0104(83)85011-3}}

@article{Fantuzzi_2016,
	author = {Fantuzzi, Felipe and Cardozo, Thiago M. and Nascimento, Marco A. C.},
	date-modified = {2022-03-23 11:51:02 +0100},
	doi = {10.1002/cphc.201500885},
	file = {/Users/monino/Zotero/storage/XMXT7B6P/Fantuzzi et al. - 2016 - The Nature of the Singlet and Triplet States of Cy.pdf;/Users/monino/Zotero/storage/AJRDDU3I/cphc.html},
	issn = {1439-7641},
	journal = {ChemPhysChem},
	langid = {english},
	number = {2},
	pages = {288--295},
	title = {The {{Nature}} of the {{Singlet}} and {{Triplet States}} of {{Cyclobutadiene}} as {{Revealed}} by {{Quantum Interference}}},
	volume = {17},
	year = {2016},
	bdsk-url-1 = {https://doi.org/10.1002/cphc.201500885}}

@misc{g09,
	author = {Frisch, M. J. and Trucks, G. W. and Schlegel, H. B. and Scuseria, G. E. and Robb, M. A. and Cheeseman, J. R. and Scalmani, G. and Barone, V. and Mennucci, B. and Petersson, G. A. and Nakatsuji, H. and Caricato, M. and Li, X. and Hratchian, H. P. and Izmaylov, A. F. and Bloino, J. and Zheng, G. and Sonnenberg, J. L. and Hada, M. and Ehara, M. and Toyota, K. and Fukuda, R. and Hasegawa, J. and Ishida, M. and Nakajima, T. and Honda, Y. and Kitao, O. and Nakai, H. and Vreven, T. and Montgomery, Jr., J. A. and Peralta, J. E. and Ogliaro, F. and Bearpark, M. and Heyd, J. J. and Brothers, E. and Kudin, K. N. and Staroverov, V. N. and Kobayashi, R. and Normand, J. and Raghavachari, K. and Rendell, A. and Burant, J. C. and Iyengar, S. S. and Tomasi, J. and Cossi, M. and Rega, N. and Millam, J. M. and Klene, M. and Knox, J. E. and Cross, J. B. and Bakken, V. and Adamo, C. and Jaramillo, J. and Gomperts, R. and Stratmann, R. E. and Yazyev, O. and Austin, A. J. and Cammi, R. and Pomelli, C. and Ochterski, J. W. and Martin, R. L. and Morokuma, K. and Zakrzewski, V. G. and Voth, G. A. and Salvador, P. and Dannenberg, J. J. and Dapprich, S. and Daniels, A. D. and Farkas, {\"O}. and Foresman, J. B. and Ortiz, J. V. and Cioslowski, J. and Fox, D. J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	title = {Gaussian 09 {{Revision E}}.01}}

@article{gamess,
	author = {Barca, Giuseppe M. J. and Bertoni, Colleen and Carrington, Laura and Datta, Dipayan and De Silva, Nuwan and Deustua, J. Emiliano and Fedorov, Dmitri G. and Gour, Jeffrey R. and Gunina, Anastasia O. and Guidez, Emilie and Harville, Taylor and Irle, Stephan and Ivanic, Joe and Kowalski, Karol and Leang, Sarom S. and Li, Hui and Li, Wei and Lutz, Jesse J. and Magoulas, Ilias and Mato, Joani and Mironov, Vladimir and Nakata, Hiroya and Pham, Buu Q. and Piecuch, Piotr and Poole, David and Pruitt, Spencer R. and Rendell, Alistair P. and Roskop, Luke B. and Ruedenberg, Klaus and Sattasathuchana, Tosaporn and Schmidt, Michael W. and Shen, Jun and Slipchenko, Lyudmila and Sosonkina, Masha and Sundriyal, Vaibhav and Tiwari, Ananta and Galvez Vallejo, Jorge L. and Westheimer, Bryce and Wloch, Marta and Xu, Peng and Zahariev, Federico and Gordon, Mark S.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/5.0005188},
	journal = {J. Chem. Phys.},
	number = {15},
	pages = {154102},
	title = {Recent Developments in the General Atomic and Molecular Electronic Structure System},
	volume = {152},
	year = {2020},
	bdsk-url-1 = {https://doi.org/10.1063/5.0005188},
	bdsk-url-2 = {https://doi.org/10.1063/5.0005188}}

@article{Garniron_2017,
	author = {Garniron, Yann and Scemama, Anthony and Loos, Pierre-Fran{\c c}ois and Caffarel, Michel},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.4992127},
	journal = {J. Chem. Phys.},
	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_2018,
	author = {Garniron, Y. and Scemama, A. and Giner, E. and Caffarel, M. and Loos, P. F.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	journal = {J. Chem. Phys.},
	pages = {064103},
	title = {Selected Configuration Interaction Dressed by Perturbation},
	volume = {149},
	year = {2018}}

@article{Garniron_2019,
	author = {Garniron, Yann and Applencourt, Thomas and Gasperich, Kevin and Benali, Anouar and Fert{\'e}, Anthony and Paquier, Julien and Pradines, Barth{\'e}l{\'e}my and Assaraf, Roland and Reinhardt, Peter and Toulouse, Julien and Barbaresco, Pierrette and Renon, Nicolas and David, Gr{\'e}goire and Malrieu, Jean-Paul and V{\'e}ril, Micka{\"e}l and Caffarel, Michel and Loos, Pierre-Fran{\c c}ois and Giner, Emmanuel and Scemama, Anthony},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/acs.jctc.9b00176},
	issn = {1549-9618},
	journal = {J. Chem. Theory Comput.},
	month = jun,
	number = {6},
	pages = {3591--3609},
	publisher = {{American Chemical Society}},
	title = {Quantum Package 2.0: {{An}} Open-Source Determinant-Driven Suite of Programs},
	volume = {15},
	year = {2019},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.9b00176}}

@article{Gauss_2006,
	author = {Gauss, J{\"u}rgen and Tajti, Attila and K{\'a}llay, Mih{\'a}ly and Stanton, John F. and Szalay, P{\'e}ter G.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.2356465},
	journal = {J. Chem. Phys.},
	number = {14},
	pages = {144111},
	title = {Analytic Calculation of the Diagonal {{Born-Oppenheimer}} Correction within Configuration-Interaction and Coupled-Cluster Theory},
	volume = {125},
	year = {2006},
	bdsk-url-1 = {https://doi.org/10.1063/1.2356465}}

@article{Gauss_2009,
	author = {Gauss, J{\"u}rgen and K{\'a}llay, Mih{\'a}ly and Neese, Frank},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/jp9028535},
	journal = {J. Phys. Chem. A},
	number = {43},
	pages = {11541--11549},
	title = {Calculation of Electronic G-{{Tensors}} Using Coupled Cluster Theory},
	volume = {113},
	year = {2009},
	bdsk-url-1 = {https://doi.org/10.1021/jp9028535}}

@article{Ghanem_2019,
	author = {Ghanem, K. and Lozovoi, A. Y. and Alavi, A.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +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{Ghigo_2004,
	author = {Ghigo, Giovanni and Roos, Bj{\"o}rn O. and Malmqvist, Per-{\AA}ke},
	date-added = {2022-03-24 21:58:52 +0100},
	date-modified = {2022-03-24 21:58:52 +0100},
	doi = {10.1016/j.cplett.2004.08.032},
	issn = {0009-2614},
	journal = {Chem. Phys. Lett.},
	number = {1},
	pages = {142--149},
	title = {A Modified Definition of the Zeroth-Order Hamiltonian in Multiconfigurational Perturbation Theory ({{CASPT2}})},
	volume = {396},
	year = {2004},
	bdsk-url-1 = {https://doi.org/10.1016/j.cplett.2004.08.032},
	bdsk-url-2 = {https://doi.org/10.1016/j.cplett.2004.08.032}}

@article{Ghosh_1981,
	author = {Ghosh, Somnath and Mukherjee, Debashis and Bhattacharyya, Subirnath},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1080/00268978100101261},
	journal = {Mol. Phys.},
	number = {1},
	pages = {173--179},
	title = {Application of Linear Response Theory in a Coupled Cluster Framework for the Calculation of Ionization Potentials},
	volume = {43},
	year = {1981},
	bdsk-url-1 = {https://doi.org/10.1080/00268978100101261}}

@article{Ghosh_2018,
	author = {Ghosh, Soumen and Verma, Pragya and Cramer, Christopher J. and Gagliardi, Laura and Truhlar, Donald G.},
	date-added = {2022-03-21 21:52:25 +0100},
	date-modified = {2022-03-21 21:52:25 +0100},
	doi = {10.1021/acs.chemrev.8b00193},
	journal = {Chem. Rev.},
	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}}

@article{Gill_1986,
	author = {Gill, Peter M. W. and Radom, Leo},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1016/0009-2614(86)80686-8},
	journal = {Chem. Phys. Lett.},
	number = {1},
	pages = {16--22},
	title = {Deceptive Convergence in {{M\o ller-Plesset}} Perturbation Energies},
	volume = {132},
	year = {1986-11-28, 1986},
	bdsk-url-1 = {https://doi.org/10.1016/0009-2614(86)80686-8}}

@article{Gill_1988,
	author = {Gill, Peter M. W. and Pople, John A. and Radom, Leo and Nobes, Ross H.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.455312},
	journal = {J. Chem. Phys.},
	number = {12},
	pages = {7307--7314},
	title = {Why Does Unrestricted {{M\o ller-Plesset}} Perturbation Theory Converge so Slowly for Spin-contaminated Wave Functions?},
	volume = {89},
	year = {1988-12-15, 1988},
	bdsk-url-1 = {https://doi.org/10.1063/1.455312}}

@article{Gill_1988a,
	author = {Gill, P. M. W. and Wong, M. W. and Nobes, R. H. and Radom, L.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1016/0009-2614(88)80328-2},
	journal = {Chem. Phys. Lett.},
	pages = {541},
	title = {How Well Can {{RMP4}} Theory Treat Homolytic Fragmentations?},
	volume = {148},
	year = {1988},
	bdsk-url-1 = {https://doi.org/10.1016/0009-2614(88)80328-2}}

@article{Giner_2013,
	author = {Giner, Emmanuel and Scemama, Anthony and Caffarel, Michel},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1139/cjc-2013-0017},
	issn = {1480-3291},
	journal = {Can. J. Chem.},
	pages = {879--885},
	publisher = {{Canadian Science Publishing}},
	title = {Using Perturbatively Selected Configuration Interaction in Quantum {{Monte Carlo}} Calculations},
	volume = {91},
	year = {2013},
	bdsk-url-1 = {https://doi.org/10.1139/cjc-2013-0017}}

@article{Giner_2015,
	author = {Giner, Emmanuel and Scemama, Anthony and Caffarel, Michel},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.4905528},
	issn = {1089-7690},
	journal = {J. Chem. Phys.},
	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},
	volume = {142},
	year = {2015},
	bdsk-url-1 = {https://doi.org/10.1063/1.4905528}}

@article{Giner_2018,
	author = {Giner, Emmanuel and Pradines, Barth{\'e}lemy and Fert{\'e}, Anthony and Assaraf, Roland and Savin, Andreas and Toulouse, Julien},
	date-added = {2022-04-01 08:09:43 +0200},
	date-modified = {2022-04-01 08:09:43 +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{Giner_2019,
	author = {Giner, E. and Scemama, A. and Toulouse, J. and Loos, P. F.},
	date-added = {2022-04-04 11:49:35 +0200},
	date-modified = {2022-04-04 11:49:35 +0200},
	doi = {10.1063/1.5122976},
	journal = {J. Chem. Phys.},
	pages = {144118},
	title = {Chemically Accurate Excitation Energies with Small Basis Sets},
	volume = {151},
	year = {2019},
	bdsk-url-1 = {https://doi.org/10.1063/1.5122976}}

@article{Giner_2020,
	author = {Giner, Emmanuel and Scemama, Anthony and Loos, Pierre-Fran{\c c}ois and Toulouse, Julien},
	date-added = {2022-04-01 08:14:54 +0200},
	date-modified = {2022-04-01 08:15:06 +0200},
	doi = {10.1063/5.0002892},
	journal = {J. Chem. Phys.},
	number = {17},
	pages = {174104},
	title = {A Basis-Set Error Correction Based on Density-Functional Theory for Strongly Correlated Molecular Systems},
	volume = {152},
	year = {2020},
	bdsk-url-1 = {https://doi.org/10.1063/5.0002892}}

@article{Gonzales_2012,
	author = {Gonz{\'a}lez, Leticia and Escudero, D. and {Serrano-Andr{\`e}s}, L.},
	date-added = {2022-03-21 21:52:01 +0100},
	date-modified = {2022-03-21 21:52:01 +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{Grimme_2006,
	author = {Grimme, Stefan},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.2148954},
	journal = {J. Chem. Phys.},
	number = {3},
	pages = {034108},
	title = {Semiempirical Hybrid Density Functional with Perturbative Second-Order Correlation},
	volume = {124},
	year = {2006},
	bdsk-url-1 = {https://doi.org/10.1063/1.2148954}}

@article{Hait_2021,
	author = {Hait, Diptarka and {Head-Gordon}, Martin},
	date-added = {2022-03-21 21:53:36 +0100},
	date-modified = {2022-03-21 21:53:36 +0100},
	doi = {10.1021/acs.jpclett.1c00744},
	journal = {J. Phys. Chem. Lett.},
	number = {19},
	pages = {4517--4529},
	title = {Orbital Optimized Density Functional Theory for Electronic Excited States},
	volume = {12},
	year = {2021},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jpclett.1c00744}}

@article{Handy_1985,
	author = {Handy, N. C. and Knowles, P. J. and Somasundram, K.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1007/BF00698753},
	journal = {Theoret. Chim. Acta},
	number = {1},
	pages = {87--100},
	title = {On the Convergence of the {{M\o ller-Plesset}} Perturbation Series},
	volume = {68},
	year = {1985},
	bdsk-url-1 = {https://doi.org/10.1007/BF00698753}}

@article{Harbach_2014,
	author = {Harbach, Philipp H. P. and Wormit, Michael and Dreuw, Andreas},
	date-modified = {2022-03-23 11:51:20 +0100},
	doi = {10.1063/1.4892418},
	file = {/Users/monino/Zotero/storage/C6KCZ58W/Harbach et al. - 2014 - The third-order algebraic diagrammatic constructio.pdf},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = aug,
	number = {6},
	pages = {064113},
	publisher = {{American Institute of Physics}},
	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{Hattig_2000,
	author = {H{\"a}ttig, Christof and Weigend, Florian},
	date-modified = {2022-03-23 11:51:22 +0100},
	doi = {10.1063/1.1290013},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = oct,
	number = {13},
	pages = {5154--5161},
	publisher = {{American Institute of Physics}},
	title = {{{CC2}} Excitation Energy Calculations on Large Molecules Using the Resolution of the Identity Approximation},
	volume = {113},
	year = {2000},
	bdsk-url-1 = {https://doi.org/10.1063/1.1290013}}

@article{He_1996a,
	author = {He, Zhi and Cremer, Dieter},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1002/(SICI)1097-461X(1996)59:1<15::AID-QUA3>3.0.CO;2-\#},
	journal = {Int. J. Quantum Chem.},
	pages = {15--29},
	title = {Sixth-Order Many-Body Perturbation Theory. {{I}}. {{Basic}} Theory and Derivation of the Energy Formula},
	volume = {59},
	year = {1996},
	bdsk-url-1 = {https://doi.org/10.1002/(SICI)1097-461X(1996)59:1%3C15::AID-QUA3%3E3.0.CO;2-%5C%23}}

@article{He_1996b,
	author = {He, Zhi and Cremer, Dieter},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1002/(SICI)1097-461X(1996)59:1<31::AID-QUA4>3.0.CO;2-Y},
	journal = {Int. J. Quantum Chem.},
	pages = {31--55},
	title = {Sixth-Order Many-Body Perturbation Theory. {{II}}. {{Implementation}} and Application},
	volume = {59},
	year = {1996},
	bdsk-url-1 = {https://doi.org/10.1002/(SICI)1097-461X(1996)59:1%3C31::AID-QUA4%3E3.0.CO;2-Y}}

@book{Helgaker_2013,
	author = {Helgaker, T. and J{\o}rgensen, P. and Olsen, J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	owner = {joshua},
	publisher = {{John Wiley \& Sons, Inc.}},
	timestamp = {2014.11.24},
	title = {Molecular Electronic-Structure Theory},
	year = {2013}}

@article{Henderson_2014a,
	author = {Henderson, Thomas M. and Bulik, Ireneusz W. and Stein, Tamar and Scuseria, Gustavo E.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.4904384},
	journal = {J. Chem. Phys.},
	pages = {244104},
	publisher = {{American Institute of Physics}},
	title = {Seniority-Based Coupled Cluster Theory},
	volume = {141},
	year = {2014},
	bdsk-url-1 = {https://doi.org/10.1063/1.4904384}}

@article{Hirata_1999,
	author = {Hirata, So and {Head-Gordon}, Martin},
	date-added = {2022-03-24 14:53:06 +0100},
	date-modified = {2022-03-24 14:53:21 +0100},
	doi = {10.1016/S0009-2614(99)01149-5},
	journal = {Chem. Phys. Lett.},
	number = {3},
	pages = {291--299},
	title = {Time-Dependent Density Functional Theory within the {{Tamm}}\textendash{{Dancoff}} Approximation},
	volume = {314},
	year = {1999},
	bdsk-url-1 = {https://doi.org/10.1016/S0009-2614(99)01149-5},
	bdsk-url-2 = {https://doi.org/10.1016/S0009-2614(99)01149-5}}

@article{Hirata_2000,
	author = {Hirata, So and Bartlett, Rodney J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1016/S0009-2614(00)00387-0},
	journal = {Chem. Phys. Lett.},
	pages = {216--224},
	title = {High-Order Coupled-Cluster Calculations through Connected Octuple Excitations},
	volume = {321},
	year = {2000},
	bdsk-url-1 = {https://doi.org/10.1016/S0009-2614(00)00387-0}}

@article{Hirata_2004,
	author = {Hirata, S.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	journal = {J. Chem. Phys.},
	pages = {51--59},
	title = {Higher-Order Equation-of-Motion Coupled-Cluster Methods},
	volume = {121},
	year = {2004}}

@article{Hohenberg_1964,
	author = {Hohenberg, P. and Kohn, W.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	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{Holmes_2016,
	author = {Holmes, Adam A. and Changlani, Hitesh J. and Umrigar, C. J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/acs.jctc.5b01170},
	issn = {1549-9618},
	journal = {J. Chem. Theory Comput.},
	month = apr,
	number = {4},
	pages = {1561--1571},
	publisher = {{American Chemical Society}},
	title = {Efficient Heat-Bath Sampling in Fock Space},
	volume = {12},
	year = {2016},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.5b01170}}

@article{Holmes_2017,
	author = {Holmes, Adam A. and Umrigar, C. J. and Sharma, Sandeep},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.4998614},
	issn = {1089-7690},
	journal = {J. Chem. Phys.},
	pages = {164111},
	publisher = {{AIP Publishing}},
	title = {Excited States Using Semistochastic Heat-Bath Configuration Interaction},
	volume = {147},
	year = {2017},
	bdsk-url-1 = {https://doi.org/10.1063/1.4998614}}

@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 = {2022-03-23 11:48:44 +0100},
	date-modified = {2022-03-23 11:48:44 +0100},
	doi = {10.1039/c0cp00273a},
	issn = {1463-9076, 1463-9084},
	journal = {Phys. Chem. Chem. Phys.},
	langid = {english},
	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 = {2022-03-23 11:48:44 +0100},
	date-modified = {2022-03-23 11:48:44 +0100},
	doi = {10.1016/j.chemphys.2011.03.019},
	issn = {03010104},
	journal = {Chem. Phys.},
	langid = {english},
	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{Huron_1973,
	author = {Huron, B. and Malrieu, J. P. and Rancurel, P.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.1679199},
	issn = {1089-7690},
	journal = {J. Chem. Phys.},
	pages = {5745--5759},
	publisher = {{AIP Publishing}},
	title = {Iterative Perturbation Calculations of Ground and Excited State Energies from Multiconfigurational Zeroth-order Wavefunctions},
	volume = {58},
	year = {1973},
	bdsk-url-1 = {https://doi.org/10.1063/1.1679199}}

@article{Illas_1988,
	author = {Illas, F. and Rubio, J. and Ricart, J. M.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.455405},
	issn = {0021-9606, 1089-7690},
	journal = {J. Chem. Phys.},
	langid = {english},
	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},
	volume = {89},
	year = {1988},
	bdsk-url-1 = {https://doi.org/10.1063/1.455405},
	bdsk-url-2 = {http://dx.doi.org/10.1063/1.455405}}

@article{Irngartinger_1983,
	author = {Irngartinger, Hermann and Nixdorf, Matthias},
	copyright = {Copyright \textcopyright{} 1983 by Verlag Chemie, GmbH, Germany},
	date-modified = {2022-03-23 11:51:31 +0100},
	doi = {10.1002/anie.198304031},
	file = {/Users/monino/Zotero/storage/LVYXNTRH/Irngartinger et Nixdorf - 1983 - Bonding Electron Density Distribution in Tetra-ter.pdf;/Users/monino/Zotero/storage/5QS87AEI/anie.html},
	issn = {1521-3773},
	journal = {Angew. Chem. Int. Ed. Engl.},
	langid = {english},
	number = {5},
	pages = {403--404},
	title = {Bonding {{Electron Density Distribution}} in {{Tetra-tert-butylcyclobutadiene}}\textemdash{} {{A Molecule}} with an {{Obviously Non-Square Four-Membered}} Ring},
	volume = {22},
	year = {1983},
	bdsk-url-1 = {https://doi.org/10.1002/anie.198304031}}

@article{Ivanic_2001,
	author = {Ivanic, J. and Ruedenberg, K.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1007/s002140100285},
	journal = {Theor. Chem. Acc.},
	pages = {339--351},
	title = {Identification of Deadwood in Configuration Spaces through General Direct Configuration Interaction},
	volume = {106},
	year = {2001},
	bdsk-url-1 = {https://doi.org/10.1007/s002140100285}}

@book{Jensen_2017,
	address = {{Chichester, UK ; Hoboken, NJ}},
	author = {Jensen, Frank},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	edition = {Third edition},
	isbn = {978-1-118-82599-0},
	lccn = {QD455.3.E4 J46 2017},
	publisher = {{John Wiley \& Sons}},
	title = {Introduction to Computational Chemistry},
	year = {2017}}

@article{Jeziorski_1981,
	author = {Jeziorski, Bogumil and Monkhorst, Hendrik J.},
	date-added = {2022-03-23 21:54:18 +0100},
	date-modified = {2022-03-23 21:54:18 +0100},
	doi = {10.1103/PhysRevA.24.1668},
	journal = {Phys. Rev. A},
	pages = {1668--1681},
	title = {Coupled-Cluster Method for Multideterminantal Reference States},
	volume = {24},
	year = {1981},
	bdsk-url-1 = {https://doi.org/10.1103/PhysRevA.24.1668},
	bdsk-url-2 = {https://doi.org/10.1103/PhysRevA.24.1668}}

@article{Kallay_2001,
	author = {K{\'a}llay, Mih{\'a}ly and Surj{\'a}n, P{\'e}ter R.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.1383290},
	journal = {J. Chem. Phys.},
	number = {7},
	pages = {2945--2954},
	title = {Higher Excitations in Coupled-Cluster Theory},
	volume = {115},
	year = {2001},
	bdsk-url-1 = {https://doi.org/10.1063/1.1383290}}

@article{Kallay_2003,
	author = {K{\'a}llay, Mih{\'a}ly and Gauss, J{\"u}rgen and Szalay, P{\'e}ter G.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.1589003},
	journal = {J. Chem. Phys.},
	pages = {2991--3004},
	title = {Analytic First Derivatives for General Coupled-Cluster and Configuration Interaction Models},
	volume = {119},
	year = {2003},
	bdsk-url-1 = {https://doi.org/10.1063/1.1589003}}

@article{Kallay_2004,
	author = {K{\'a}llay, Mih{\'a}ly and Gauss, J{\"u}rgen},
	date-modified = {2022-03-23 11:51:36 +0100},
	doi = {10.1063/1.1805494},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = nov,
	number = {19},
	pages = {9257--9269},
	publisher = {{American Institute of Physics}},
	title = {Calculation of Excited-State Properties Using General Coupled-Cluster and Configuration-Interaction Models},
	volume = {121},
	year = {2004},
	bdsk-url-1 = {https://doi.org/10.1063/1.1805494}}

@article{Kallay_2004a,
	author = {K{\'a}llay, Mih{\'a}ly and Gauss, J{\"u}rgen},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.1668632},
	journal = {J. Chem. Phys.},
	number = {15},
	pages = {6841--6848},
	title = {Analytic Second Derivatives for General Coupled-Cluster and Configuration-Interaction Models},
	volume = {120},
	year = {2004},
	bdsk-url-1 = {https://doi.org/10.1063/1.1668632}}

@article{Kallay_2004b,
	author = {K{\'a}llay, Mih{\'a}ly and Gauss, J{\"u}rgen},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {http://dx.doi.org/10.1063/1.1805494},
	journal = {J. Chem. Phys.},
	pages = {9257--9269},
	title = {Calculation of Excited-State Properties Using General Coupled-Cluster and Configuration-Interaction Models},
	volume = {121},
	year = {2004},
	bdsk-url-1 = {http://dx.doi.org/10.1063/1.1805494},
	bdsk-url-2 = {http://dx.doi.org/10.1063/1.1805494}}

@article{Kallay_2005,
	author = {K{\'a}llay, Mih{\'a}ly and Gauss, J{\"u}rgen},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.2121589},
	journal = {J. Chem. Phys.},
	number = {21},
	pages = {214105},
	title = {Approximate Treatment of Higher Excitations in Coupled-Cluster Theory},
	volume = {123},
	year = {2005},
	bdsk-url-1 = {https://doi.org/10.1063/1.2121589}}

@article{Kallay_2006,
	author = {K{\'a}llay, Mih{\'a}ly and Gauss, J{\"u}rgen},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1016/j.theochem.2006.05.021},
	journal = {J. Mol. Struct. THEOCHEM},
	number = {1},
	pages = {71--77},
	title = {Calculation of Frequency-Dependent Polarizabilities Using General Coupled-Cluster Models},
	volume = {768},
	year = {2006},
	bdsk-url-1 = {https://doi.org/10.1016/j.theochem.2006.05.021},
	bdsk-url-2 = {https://doi.org/10.1016/j.theochem.2006.05.021}}

@article{Karadakov_2008,
	author = {Karadakov, Peter B.},
	date-modified = {2022-03-23 11:51:41 +0100},
	doi = {10.1021/jp8037335},
	file = {/Users/monino/Zotero/storage/MAYI58IW/Karadakov - 2008 - Ground- and Excited-State Aromaticity and Antiarom.pdf;/Users/monino/Zotero/storage/65C9P8RP/jp8037335.html},
	issn = {1089-5639},
	journal = {J. Phys. Chem. A},
	month = aug,
	number = {31},
	pages = {7303--7309},
	publisher = {{American Chemical Society}},
	title = {Ground- and {{Excited-State Aromaticity}} and {{Antiaromaticity}} in {{Benzene}} and {{Cyclobutadiene}}},
	volume = {112},
	year = {2008},
	bdsk-url-1 = {https://doi.org/10.1021/jp8037335}}

@incollection{Klessinger_1995,
	address = {{New York}},
	author = {Klessinger, Martin and Michl, Josef},
	date-added = {2022-03-21 21:36:50 +0100},
	date-modified = {2022-03-21 21:57:36 +0100},
	isbn = {978-1-56081-588-4 978-0-471-18576-5},
	publisher = {{VCH}},
	title = {Excited States and Photochemistry of Organic Molecules},
	year = {1995}}

@article{Knowles_1985,
	author = {Knowles, P. J. and Somasundram, K. and Handy, N. C. and Hirao, K.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1016/0009-2614(85)85002-8},
	journal = {Chem. Phys. Lett.},
	pages = {8},
	title = {The Calculation of High-Order Energies in the Many-Body Perturbation Theory Series},
	volume = {113},
	year = {1985},
	bdsk-url-1 = {https://doi.org/10.1016/0009-2614(85)85002-8}}

@article{Koch_1990a,
	author = {Koch, Henrik and Jorgensen, Poul},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.458814},
	journal = {J. Chem. Phys.},
	number = {5},
	pages = {3333--3344},
	title = {Coupled Cluster Response Functions},
	volume = {93},
	year = {1990},
	bdsk-url-1 = {https://doi.org/10.1063/1.458814}}

@article{Koch_1990b,
	author = {Koch, Henrik and Jensen, Hans Jorgen Aa. and Jorgensen, Poul and Helgaker, Trygve},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.458815},
	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},
	bdsk-url-1 = {https://doi.org/10.1063/1.458815}}

@article{Koch_1995,
	author = {Koch, Henrik and Christiansen, Ove and J{\o}rgensen, Poul and Olsen, Jeppe},
	date-modified = {2022-03-23 11:51:44 +0100},
	doi = {10.1016/0009-2614(95)00914-P},
	file = {/Users/monino/Zotero/storage/HWJJKRFE/Koch et al. - 1995 - Excitation energies of BH, CH2 and Ne in full conf.pdf;/Users/monino/Zotero/storage/6JPTSDU6/000926149500914P.html},
	issn = {0009-2614},
	journal = {Chem. Phys. Lett.},
	langid = {english},
	month = sep,
	number = {1},
	pages = {75--82},
	title = {Excitation Energies of {{BH}}, {{CH2}} and {{Ne}} in Full Configuration Interaction and the Hierarchy {{CCS}}, {{CC2}}, {{CCSD}} and {{CC3}} of Coupled Cluster Models},
	volume = {244},
	year = {1995},
	bdsk-url-1 = {https://doi.org/10.1016/0009-2614(95)00914-P}}

@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 = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +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},
	volume = {106},
	year = {1997},
	bdsk-url-1 = {http://dx.doi.org/10.1063/1.473322},
	bdsk-url-2 = {http://dx.doi.org/10.1063/1.473322}}

@article{Kohn_1965,
	author = {Kohn, W. and Sham, L. J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +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{Kohn_2013,
	author = {K{\"o}hn, Andreas and Hanauer, Matthias and M{\"u}ck, Leonie Anna and Jagau, Thomas-Christian and Gauss, J{\"u}rgen},
	date-added = {2022-03-23 21:54:39 +0100},
	date-modified = {2022-03-23 21:54:39 +0100},
	doi = {10.1002/wcms.1120},
	journal = {WIREs Comput. Mol. Sci.},
	number = {2},
	pages = {176--197},
	title = {State-Specific Multireference Coupled-Cluster Theory},
	volume = {3},
	year = {2013},
	bdsk-url-1 = {https://doi.org/10.1002/wcms.1120},
	bdsk-url-2 = {https://doi.org/10.1002/wcms.1120}}

@article{Kossoski_2021,
	author = {Kossoski, F{\'a}bris and Marie, Antoine and Scemama, Anthony and Caffarel, Michel and Loos, Pierre-Fran{\c c}ois},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/acs.jctc.1c00348},
	journal = {J. Chem. Theory Comput.},
	number = {0},
	pages = {null},
	title = {Excited States from State-Specific Orbital-Optimized Pair Coupled Cluster},
	volume = {0},
	year = {0},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.1c00348}}

@article{Kostenko_2017,
	author = {Kostenko, Arseni and Tumanskii, Boris and Kobayashi, Yuzuru and Nakamoto, Masaaki and Sekiguchi, Akira and Apeloig, Yitzhak},
	date-modified = {2022-03-23 11:51:48 +0100},
	doi = {10.1002/anie.201705228},
	file = {/Users/monino/Zotero/storage/F8V62C4E/anie.html},
	issn = {1521-3773},
	journal = {Angew. Chem. Int. Ed.},
	langid = {english},
	number = {34},
	pages = {10183--10187},
	title = {Spectroscopic {{Observation}} of the {{Triplet Diradical State}} of a {{Cyclobutadiene}}},
	volume = {56},
	year = {2017},
	bdsk-url-1 = {https://doi.org/10.1002/anie.201705228}}

@article{Kowalski_2000a,
	author = {Kowalski, Karol and Piecuch, Piotr},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.481769},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = jul,
	number = {1},
	pages = {18--35},
	publisher = {{American Institute of Physics}},
	title = {The Method of Moments of Coupled-Cluster Equations and the Renormalized {{CCSD}}[{{T}}], {{CCSD}}({{T}}), {{CCSD}}({{TQ}}), and {{CCSDT}}({{Q}}) Approaches},
	volume = {113},
	year = {2000},
	bdsk-url-1 = {https://doi.org/10.1063/1.481769}}

@article{Kowalski_2000b,
	author = {Kowalski, Karol and Piecuch, Piotr},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.1290609},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = oct,
	number = {14},
	pages = {5644--5652},
	publisher = {{American Institute of Physics}},
	title = {Renormalized {{CCSD}}({{T}}) and {{CCSD}}({{TQ}}) Approaches: {{Dissociation}} of the {{N2}} Triple Bond},
	volume = {113},
	year = {2000},
	bdsk-url-1 = {https://doi.org/10.1063/1.1290609}}

@article{Kowalski_2001,
	author = {Kowalski, K. and Piecuch, P.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +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{Kreile_1986,
	author = {Kreile, J{\"u}rgen and M{\"u}nzel, Norbert and Schweig, Armin and Specht, Harald},
	date-modified = {2022-03-23 11:51:52 +0100},
	doi = {10.1016/0009-2614(86)85133-8},
	file = {/Users/monino/Zotero/storage/S3GSHKPE/Kreile et al. - 1986 - Uv photoelectron spectrum of cyclobutadiene. free .pdf;/Users/monino/Zotero/storage/SWP7NVNH/0009261486851338.html},
	issn = {0009-2614},
	journal = {Chem. Phys. Lett.},
	langid = {english},
	month = feb,
	number = {2},
	pages = {140--146},
	title = {Uv Photoelectron Spectrum of Cyclobutadiene. {{Free}} Cyclobutadiene Stable up to High Temperatures},
	volume = {124},
	year = {1986},
	bdsk-url-1 = {https://doi.org/10.1016/0009-2614(86)85133-8}}

@article{Kreplin_2019,
	author = {Kreplin, David A. and Knowles, Peter J. and Werner, Hans-Joachim},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.5094644},
	journal = {J. Chem. Phys.},
	number = {19},
	pages = {194106},
	title = {Second-Order {{MCSCF}} Optimization Revisited. {{I}}. {{Improved}} Algorithms for Fast and Robust Second-Order {{CASSCF}} Convergence},
	volume = {150},
	year = {2019},
	bdsk-url-1 = {https://doi.org/10.1063/1.5094644}}

@article{Kreplin_2020,
	author = {Kreplin, David A. and Knowles, Peter J. and Werner, Hans-Joachim},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.5142241},
	journal = {J. Chem. Phys.},
	number = {7},
	pages = {074102},
	title = {{{MCSCF}} Optimization Revisited. {{II}}. {{Combined}} First- and Second-Order Orbital Optimization for Large Molecules},
	volume = {152},
	year = {2020},
	bdsk-url-1 = {https://doi.org/10.1063/1.5142241}}

@article{Krishnan_1980,
	author = {Krishnan, R. and Frisch, M. J. and Pople, J. A.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.439657},
	journal = {J. Chem. Phys.},
	number = {7},
	pages = {4244--4245},
	title = {Contribution of Triple Substitutions to the Electron Correlation Energy in Fourth Order Perturbation Theory},
	volume = {72},
	year = {1980},
	bdsk-url-1 = {https://doi.org/10.1063/1.439657}}

@article{Krylov_2000a,
	author = {Krylov, Anna I. and Sherrill, C. David and {Head-Gordon}, Martin},
	date-added = {2022-03-23 11:46:29 +0100},
	date-modified = {2022-03-23 11:46:29 +0100},
	doi = {10.1063/1.1311292},
	journal = {J. Chem. Phys.},
	number = {16},
	pages = {6509--6527},
	title = {Excited States Theory for Optimized Orbitals and Valence Optimized Orbitals Coupled-Cluster Doubles Models},
	volume = {113},
	year = {2000},
	bdsk-url-1 = {https://doi.org/10.1063/1.1311292}}

@article{Krylov_2000b,
	author = {Krylov, Anna I.},
	date-added = {2022-03-23 11:46:29 +0100},
	date-modified = {2022-03-23 11:46:29 +0100},
	doi = {10.1063/1.1308557},
	journal = {J. Chem. Phys.},
	number = {15},
	pages = {6052--6062},
	title = {Spin-Contamination of Coupled-Cluster Wave Functions},
	volume = {113},
	year = {2000},
	bdsk-url-1 = {https://doi.org/10.1063/1.1308557}}

@article{Krylov_2001a,
	author = {Krylov, Anna I.},
	date-added = {2022-03-23 11:46:29 +0100},
	date-modified = {2022-03-23 11:46:29 +0100},
	doi = {10.1016/S0009-2614(01)00287-1},
	issn = {0009-2614},
	journal = {Chem. Phys. Lett.},
	number = {4},
	pages = {375--384},
	title = {Size-Consistent Wave Functions for Bond-Breaking: The Equation-of-Motion Spin-Flip Model},
	volume = {338},
	year = {2001},
	bdsk-url-1 = {https://doi.org/10.1016/S0009-2614(01)00287-1},
	bdsk-url-2 = {https://doi.org/10.1016/S0009-2614(01)00287-1}}

@article{Krylov_2001b,
	author = {Krylov, Anna I.},
	date-added = {2022-03-23 11:46:29 +0100},
	date-modified = {2022-03-23 11:46:29 +0100},
	doi = {10.1016/S0009-2614(01)01316-1},
	issn = {00092614},
	journal = {Chem. Phys. Lett.},
	langid = {english},
	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},
	bdsk-url-1 = {https://doi.org/10.1016/S0009-2614(01)01316-1}}

@article{Krylov_2002,
	author = {Krylov, Anna I. and Sherrill, C. David},
	date-added = {2022-03-23 11:46:29 +0100},
	date-modified = {2022-03-23 11:46:29 +0100},
	doi = {10.1063/1.1445116},
	journal = {J. Chem. Phys.},
	number = {8},
	pages = {3194--3203},
	title = {Perturbative Corrections to the Equation-of-Motion Spin\textendash Flip Self-Consistent Field Model: {{Application}} to Bond-Breaking and Equilibrium Properties of Diradicals},
	volume = {116},
	year = {2002},
	bdsk-url-1 = {https://doi.org/10.1063/1.1445116}}

@article{Krylov_2006,
	author = {Krylov, Anna I.},
	date-added = {2022-03-23 11:46:29 +0100},
	date-modified = {2022-03-23 11:46:29 +0100},
	doi = {10.1021/ar0402006},
	journal = {Acc. Chem. Res.},
	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},
	volume = {39},
	year = {2006},
	bdsk-url-1 = {https://doi.org/10.1021/ar0402006}}

@article{Krylov_2008,
	author = {Krylov, Anna I.},
	date-added = {2022-03-23 11:46:29 +0100},
	date-modified = {2022-03-23 11:46:29 +0100},
	doi = {10.1146/annurev.physchem.59.032607.093602},
	journal = {Annu. Rev. Phys. Chem.},
	number = {1},
	pages = {433--462},
	title = {Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: {{The}} Hitchhiker's Guide to Fock Space},
	volume = {59},
	year = {2008},
	bdsk-url-1 = {https://doi.org/10.1146/annurev.physchem.59.032607.093602}}

@article{Kucharski_1989,
	author = {Kucharski, Stanislaw A. and Noga, Jozef and Bartlett, Rodney J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.456206},
	journal = {J. Chem. Phys.},
	number = {12},
	pages = {7282--7290},
	title = {Fifth-order Many-body Perturbation Theory for Molecular Correlation Energies},
	volume = {90},
	year = {1989},
	bdsk-url-1 = {https://doi.org/10.1063/1.456206}}

@article{Kucharski_1991,
	author = {Kucharski, Stanislaw A. and Bartlett, Rodney J.},
	date-modified = {2022-03-23 11:51:57 +0100},
	doi = {10.1007/BF01117419},
	file = {/Users/monino/Zotero/storage/XF724XDM/Kucharski et Bartlett - 1991 - Recursive intermediate factorization and complete .pdf},
	issn = {1432-2234},
	journal = {Theoret. Chim. Acta},
	langid = {english},
	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},
	volume = {80},
	year = {1991},
	bdsk-url-1 = {https://doi.org/10.1007/BF01117419}}

@article{kucharski_1991a,
	author = {Kucharski, Stanislaw A. and Bartlett, Rodney J.},
	doi = {10.1007/BF01117419},
	file = {/Users/monino/Zotero/storage/DMNAXLAZ/Kucharski et Bartlett - 1991 - Recursive intermediate factorization and complete .pdf},
	issn = {1432-2234},
	journal = {Theoret. Chim. Acta},
	langid = {english},
	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},
	volume = {80},
	year = {1991},
	bdsk-url-1 = {https://doi.org/10.1007/BF01117419}}

@article{Kucharski_1992,
	author = {Kucharski, S. A. and Bartlett, R. J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.463930},
	journal = {J. Chem. Phys.},
	pages = {4282-4288},
	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{Kucharski_2001,
	author = {Kucharski, Stanis{\l}aw A. and W{\l}och, Marta and Musia{\l}, Monika and Bartlett, Rodney J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {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},
	volume = {115},
	year = {2001},
	bdsk-url-1 = {https://doi.org/10.1063/1.1416173}}

@article{Laidig_1985,
	author = {Laidig, William D. and Fitzgerald, George and Bartlett, Rodney J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1016/0009-2614(85)80934-9},
	journal = {Chem. Phys. Lett.},
	pages = {151},
	title = {Is Fifth-Order {{MBPT}} Enough?},
	volume = {113},
	year = {1985},
	bdsk-url-1 = {https://doi.org/10.1016/0009-2614(85)80934-9}}

@article{Laidig_1987,
	author = {Laidig, William D. and Saxe, Paul and Bartlett, Rodney J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.452291},
	journal = {J. Chem. Phys.},
	pages = {887},
	title = {The Description of {{N2}} and {{F2}} Potential Energy Surfaces Using Multireference Coupled Cluster Theory},
	volume = {86},
	year = {1987},
	bdsk-url-1 = {https://doi.org/10.1063/1.452291}}

@article{Laurent_2013,
	author = {Laurent, Ad{\`e}le D. and Jacquemin, Denis},
	date-added = {2022-03-21 21:52:09 +0100},
	date-modified = {2022-03-21 21:52:09 +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{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 = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	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}}

@article{Lee_1988a,
	author = {Lee, Chengteh and Yang, Weitao and Parr, Robert G.},
	date-modified = {2022-03-23 11:49:50 +0100},
	doi = {10.1103/PhysRevB.37.785},
	file = {/Users/monino/Zotero/storage/TMNNDIWU/Lee et al. - 1988 - Development of the Colle-Salvetti correlation-ener.pdf;/Users/monino/Zotero/storage/M8BYQK3D/PhysRevB.37.html},
	journal = {Phys. Rev. B},
	month = jan,
	number = {2},
	pages = {785--789},
	publisher = {{American Physical Society}},
	title = {Development of the {{Colle-Salvetti}} Correlation-Energy Formula into a Functional of the Electron Density},
	volume = {37},
	year = {1988},
	bdsk-url-1 = {https://doi.org/10.1103/PhysRevB.37.785}}

@article{Lee_2018,
	author = {Lee, Seunghoon and Filatov, Michael and Lee, Sangyoub and Choi, Cheol Ho},
	date-added = {2022-03-23 11:49:46 +0100},
	date-modified = {2022-03-23 11:49:46 +0100},
	doi = {10.1063/1.5044202},
	journal = {J. Chem. Phys.},
	number = {10},
	pages = {104101},
	title = {Eliminating Spin-Contamination of Spin-Flip Time Dependent Density Functional Theory within Linear Response Formalism by the Use of Zeroth-Order Mixed-Reference ({{MR}}) Reduced Density Matrix},
	volume = {149},
	year = {2018},
	bdsk-url-1 = {https://doi.org/10.1063/1.5044202}}

@article{Lee_2020,
	author = {Lee, Joonho and Malone, Fionn D. and Reichman, David R.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/5.0024835},
	journal = {J. Chem. Phys.},
	pages = {126101},
	title = {The Performance of Phaseless Auxiliary-Field Quantum {{Monte Carlo}} on the Ground State Electronic Energy of Benzene},
	volume = {153},
	year = {2020},
	bdsk-url-1 = {https://doi.org/10.1063/5.0024835}}

@article{Lee_2021,
	author = {Lee, Seunghoon and Zhai, Huanchen and Sharma, Sandeep and Umrigar, C. J. and Chan, Garnet Kin-Lic},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/acs.jctc.1c00205},
	journal = {J. Chem. Theory Comput.},
	number = {6},
	pages = {3414--3425},
	title = {Externally Corrected {{CCSD}} with Renormalized Perturbative Triples (r-Ecccsd(t)) and the Density Matrix Renormalization Group and Selected Configuration Interaction External Sources},
	volume = {17},
	year = {2021},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.1c00205}}

@article{Lefrancois_2015,
	author = {Lefrancois, Daniel and Wormit, Michael and Dreuw, Andreas},
	date-modified = {2022-03-23 11:52:02 +0100},
	doi = {10.1063/1.4931653},
	file = {/Users/monino/Zotero/storage/HIV3CENN/Lefrancois et al. - 2015 - Adapting algebraic diagrammatic construction schem.pdf},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = sep,
	number = {12},
	pages = {124107},
	publisher = {{American Institute of Physics}},
	title = {Adapting Algebraic Diagrammatic Construction Schemes for the Polarization Propagator to Problems with Multi-Reference Electronic Ground States Exploiting the Spin-Flip Ansatz},
	volume = {143},
	year = {2015},
	bdsk-url-1 = {https://doi.org/10.1063/1.4931653}}

@article{Lei_2017,
	author = {Lei, Yibo and Liu, Wenjian and Hoffmann, Mark R.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +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{Lepetit_1988,
	author = {Lepetit, M. B. and P{\'e}lissier, M. and Malrieu, J. P.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.455170},
	journal = {J. Chem. Phys.},
	number = {2},
	pages = {998--1008},
	title = {Origins of the Poor Convergence of Many-body Perturbation Theory Expansions from Unrestricted {{Hartree-Fock}} Zeroth-order Descriptions},
	volume = {89},
	year = {1988},
	bdsk-url-1 = {https://doi.org/10.1063/1.455170}}

@article{Levchenko_2004,
	author = {Levchenko, Sergey V. and Krylov, Anna I.},
	date-modified = {2022-03-23 11:49:58 +0100},
	doi = {10.1063/1.1630018},
	file = {/Users/monino/Zotero/storage/XXDFVWK4/Levchenko et Krylov - 2004 - Equation-of-motion spin-flip coupled-cluster model.pdf},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = jan,
	number = {1},
	pages = {175--185},
	publisher = {{American Institute of Physics}},
	shorttitle = {Equation-of-Motion Spin-Flip Coupled-Cluster Model with Single and Double Substitutions},
	title = {Equation-of-Motion Spin-Flip Coupled-Cluster Model with Single and Double Substitutions: {{Theory}} and Application to Cyclobutadiene},
	volume = {120},
	year = {2004},
	bdsk-url-1 = {https://doi.org/10.1063/1.1630018}}

@article{Levine_2006,
	author = {Levine, Benjamin G. and Ko, Chaehyuk and Quenneville, Jason and Mart{\'\i}nez, Todd J.},
	date-added = {2022-03-23 10:49:10 +0100},
	date-modified = {2022-03-23 10:49:10 +0100},
	doi = {10.1080/00268970500417762},
	issn = {0026-8976, 1362-3028},
	journal = {Mol. Phys.},
	langid = {english},
	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{Li_2009,
	author = {Li, Xiangzhu and Paldus, Josef},
	date-modified = {2022-03-23 11:50:03 +0100},
	doi = {10.1063/1.3225203},
	file = {/Users/monino/Zotero/storage/BXVNKPMI/Li et Paldus - 2009 - Accounting for the exact degeneracy and quasidegen.pdf},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = sep,
	number = {11},
	pages = {114103},
	publisher = {{American Institute of Physics}},
	title = {Accounting for the Exact Degeneracy and Quasidegeneracy in the Automerization of Cyclobutadiene via Multireference Coupled-Cluster Methods},
	volume = {131},
	year = {2009},
	bdsk-url-1 = {https://doi.org/10.1063/1.3225203}}

@article{Li_2010,
	author = {Li, Zhendong and Liu, Wenjian},
	date-added = {2022-03-23 11:49:18 +0100},
	date-modified = {2022-03-23 11:49:18 +0100},
	doi = {10.1063/1.3463799},
	journal = {J. Chem. Phys.},
	number = {6},
	pages = {064106},
	title = {Spin-Adapted Open-Shell Random Phase Approximation and Time-Dependent Density Functional Theory. {{I}}. {{Theory}}},
	volume = {133},
	year = {2010},
	bdsk-url-1 = {https://doi.org/10.1063/1.3463799}}

@article{Li_2011a,
	author = {Li, Zhendong and Liu, Wenjian and Zhang, Yong and Suo, Bingbing},
	date-added = {2022-03-23 11:49:27 +0100},
	date-modified = {2022-03-23 11:49:27 +0100},
	doi = {10.1063/1.3573374},
	journal = {J. Chem. Phys.},
	number = {13},
	pages = {134101},
	title = {Spin-Adapted Open-Shell Time-Dependent Density Functional Theory. {{II}}. {{Theory}} and Pilot Application},
	volume = {134},
	year = {2011},
	bdsk-url-1 = {https://doi.org/10.1063/1.3573374}}

@article{Li_2011b,
	author = {Li, Zhendong and Liu, Wenjian},
	date-added = {2022-03-23 11:49:27 +0100},
	date-modified = {2022-03-23 11:49:27 +0100},
	doi = {10.1063/1.3660688},
	journal = {J. Chem. Phys.},
	number = {19},
	pages = {194106},
	title = {Spin-Adapted Open-Shell Time-Dependent Density Functional Theory. {{III}}. {{An}} Even Better and Simpler Formulation},
	volume = {135},
	year = {2011},
	bdsk-url-1 = {https://doi.org/10.1063/1.3660688}}

@article{Li_2018,
	author = {Li, J. and Otten, M. and Holmes, A. A. and Sharma, S. and Umrigar, C. J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	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{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 = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1103/PhysRevResearch.2.012015},
	journal = {Phys. Rev. Research},
	pages = {012015},
	publisher = {{American Physical Society}},
	title = {Accurate Many-Body Electronic Structure near the Basis Set Limit: {{Application}} to the Chromium Dimer},
	volume = {2},
	year = {2020},
	bdsk-url-1 = {https://doi.org/10.1103/PhysRevResearch.2.012015},
	bdsk-url-2 = {https://doi.org/10.1103/PhysRevResearch.2.012015}}

@article{Liu_2014,
	author = {Liu, W. and Hoffmann, M.R.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1007/s00214-014-1481-x},
	journal = {Theor. Chem. Acc.},
	pages = {1481},
	title = {{{SDS}}: The Static\textendash Dynamic\textendash 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 = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/acs.jctc.5b01099},
	issn = {1549-9618},
	journal = {J. Chem. Theory Comput.},
	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{Loos_2018a,
	author = {Loos, P. F. and Scemama, A. and Blondel, A. and Garniron, Y. and Caffarel, M. and Jacquemin, D.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/acs.jctc.8b00406},
	journal = {J. Chem. Theory Comput.},
	pages = {4360-4379},
	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_2019,
	author = {Loos, Pierre-Fran{\c c}ois and {Boggio-Pasqua}, Martial and Scemama, Anthony and Caffarel, Michel and Jacquemin, Denis},
	date-added = {2022-03-23 10:41:29 +0100},
	date-modified = {2022-03-23 10:41:29 +0100},
	doi = {10.1021/acs.jctc.8b01205},
	journal = {J. Chem. Theory Comput.},
	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{Loos_2019d,
	author = {Loos, P. F. and Pradines, B. and Scemama, A. and Toulouse, J. and Giner, E.},
	date-added = {2022-04-01 08:09:22 +0200},
	date-modified = {2022-04-01 08:09:22 +0200},
	doi = {10.1021/acs.jpclett.9b01176},
	journal = {J. Phys. Chem. Lett.},
	pages = {2931--2937},
	title = {A Density-Based Basis-Set Correction for Wave Function Theory},
	volume = {10},
	year = {2019},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jpclett.9b01176}}

@article{Loos_2020a,
	author = {Loos, P. F. and Scemama, A. and Jacquemin, D.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	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{Loos_2020b,
	author = {Loos, P. F. and Lipparini, F. and {Boggio-Pasqua}, M. and Scemama, A. and Jacquemin, D.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/acs.jctc.9b01216},
	journal = {J. Chem. Theory Comput.},
	pages = {1711-1741},
	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{Loos_2020c,
	author = {Loos, P. F. and Scemama, A. and {Boggio-Pasqua}, M. and Jacquemin, D.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	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.0c00227}}

@article{Loos_2020d,
	author = {Loos, Pierre-Francois and Jacquemin, Denis},
	date-added = {2022-03-31 11:55:14 +0200},
	date-modified = {2022-03-31 11:55:14 +0200},
	doi = {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?},
	volume = {11},
	year = {2020},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jpclett.9b03652}}

@article{Loos_2020e,
	author = {Loos, Pierre-Fran{\c c}ois and Damour, Yann and Scemama, Anthony},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/5.0027617},
	journal = {J. Chem. Phys.},
	pages = {176101},
	title = {The Performance of {{CIPSI}} on the Ground State Electronic Energy of Benzene},
	volume = {153},
	year = {2020},
	bdsk-url-1 = {https://doi.org/10.1063/5.0027617}}

@article{Loos_2021,
	author = {Loos, Pierre-Fran{\c c}ois and Matthews, Devin A. and Lipparini, Filippo and Jacquemin, Denis},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/5.0055994},
	journal = {J. Chem. Phys.},
	number = {22},
	pages = {221103},
	title = {How Accurate Are {{EOM-CC4}} Vertical Excitation Energies?},
	volume = {154},
	year = {2021},
	bdsk-url-1 = {https://doi.org/10.1063/5.0055994}}

@article{Loos_2021b,
	author = {Loos, Pierre-Fran{\c c}ois and Jacquemin, Denis},
	date-added = {2022-03-24 13:24:14 +0100},
	date-modified = {2022-03-24 13:24:14 +0100},
	doi = {10.1021/acs.jpca.1c08524},
	journal = {J. Phys. Chem. A},
	number = {47},
	pages = {10174--10188},
	title = {A Mountaineering Strategy to Excited States: {{Highly}} Accurate Energies and Benchmarks for Bicyclic Systems},
	volume = {125},
	year = {2021},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jpca.1c08524}}

@article{Loos_2021c,
	author = {Loos, Pierre-Fran{\c c}ois and Comin, Massimiliano and Blase, Xavier and Jacquemin, Denis},
	date-added = {2022-03-31 11:55:40 +0200},
	date-modified = {2022-03-31 11:55:40 +0200},
	doi = {10.1021/acs.jctc.1c00226},
	journal = {J. Chem. Theory Comput.},
	number = {6},
	pages = {3666--3686},
	title = {Reference Energies for Intramolecular Charge-Transfer Excitations},
	volume = {17},
	year = {2021},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.1c00226}}

@article{Lutz_2018,
	author = {Lutz, Jesse J. and Nooijen, Marcel and Perera, Ajith and Bartlett, Rodney J.},
	date-modified = {2022-03-23 11:52:11 +0100},
	doi = {10.1063/1.5025170},
	file = {/Users/monino/Zotero/storage/NF5IK6NF/Lutz et al. - 2018 - Reference dependence of the two-determinant couple.pdf},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = apr,
	number = {16},
	pages = {164102},
	publisher = {{American Institute of Physics}},
	title = {Reference Dependence of the Two-Determinant Coupled-Cluster Method for Triplet and Open-Shell Singlet States of Biradical Molecules},
	volume = {148},
	year = {2018},
	bdsk-url-1 = {https://doi.org/10.1063/1.5025170}}

@article{Lyakh_2011,
	author = {Lyakh, Dmitry I. and Lotrich, Victor F. and Bartlett, Rodney J.},
	date-modified = {2022-03-23 11:52:13 +0100},
	doi = {10.1016/j.cplett.2010.11.058},
	file = {/Users/monino/Zotero/storage/C69L35BC/S0009261410015393.html},
	issn = {0009-2614},
	journal = {Chem. Phys. Lett.},
	langid = {english},
	month = jan,
	number = {4},
	pages = {166--171},
	title = {The `{{Tailored}}' {{CCSD}}({{T}}) Description of the Automerization of Cyclobutadiene},
	volume = {501},
	year = {2011},
	bdsk-url-1 = {https://doi.org/10.1016/j.cplett.2010.11.058}}

@article{Lyakh_2012,
	author = {Lyakh, Dmitry I. and Musia{\l}, Monika and Lotrich, Victor F. and Bartlett, Rodney J.},
	date-added = {2022-03-23 21:54:33 +0100},
	date-modified = {2022-03-23 21:54:33 +0100},
	doi = {10.1021/cr2001417},
	journal = {Chem. Rev.},
	pages = {182--243},
	publisher = {{American Chemical Society}},
	title = {Multireference {{Nature}} of {{Chemistry}}: {{The Coupled-Cluster View}}},
	volume = {112},
	year = {2012},
	bdsk-url-1 = {https://doi.org/10.1021/cr2001417}}

@article{Magoulas_2021,
	author = {Magoulas, Ilias and Gururangan, Karthik and Piecuch, Piotr and Deustua, J. Emiliano and Shen, Jun},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/acs.jctc.1c00181},
	journal = {J. Chem. Theory Comput.},
	number = {7},
	pages = {4006--4027},
	title = {Is Externally Corrected Coupled Cluster Always Better than the Underlying Truncated Configuration Interaction?},
	volume = {17},
	year = {2021},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.1c00181}}

@article{Mahapatra_1998,
	author = {Mahapatra, U. S. and Datta, B. and Mukherjee, D.},
	date-added = {2022-03-23 21:54:27 +0100},
	date-modified = {2022-03-23 21:54:27 +0100},
	doi = {10.1080/002689798168448},
	journal = {Mol. Phys.},
	number = {1},
	pages = {157--171},
	title = {A State-Specific Multi-Reference Coupled Cluster Formalism with Molecular Applications},
	volume = {94},
	year = {1998},
	bdsk-url-1 = {https://doi.org/10.1080/002689798168448}}

@article{Mahapatra_1999,
	author = {Mahapatra, Uttam Sinha and Datta, Barnali and Mukherjee, Debashis},
	date-added = {2022-03-23 21:54:27 +0100},
	date-modified = {2022-03-23 21:54:27 +0100},
	doi = {10.1063/1.478523},
	journal = {J. Chem. Phys.},
	number = {13},
	pages = {6171--6188},
	title = {A Size-Consistent State-Specific Multireference Coupled Cluster Theory: {{Formal}} Developments and Molecular Applications},
	volume = {110},
	year = {1999},
	bdsk-url-1 = {https://doi.org/10.1063/1.478523}}

@article{Mahapatra_2008,
	author = {Mahapatra, Uttam Sinha and Chattopadhyay, Sudip and Chaudhuri, Rajat K.},
	date-added = {2022-03-23 21:54:27 +0100},
	date-modified = {2022-03-23 21:54:27 +0100},
	doi = {10.1063/1.2952666},
	issn = {0021-9606, 1089-7690},
	journal = {J. Chem. Phys.},
	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}}

@article{Mahapatra_2010,
	author = {Mahapatra, Uttam Sinha and Chattopadhyay, Sudip and Chaudhuri, Rajat K.},
	date-modified = {2022-03-23 11:52:17 +0100},
	doi = {10.1002/jcc.21624},
	file = {/Users/monino/Zotero/storage/H5NC5V6B/jcc.html},
	issn = {1096-987X},
	journal = {J. Comput. Chem.},
	langid = {german},
	number = {2},
	pages = {325--337},
	shorttitle = {{Second-order state-specific multireference M\o ller Plesset perturbation theory}},
	title = {{Second-order state-specific multireference M\o ller Plesset perturbation theory: Application to energy surfaces of diimide, ethylene, butadiene, and cyclobutadiene}},
	volume = {32},
	year = {2010},
	bdsk-url-1 = {https://doi.org/10.1002/jcc.21624}}

@article{Maitra_2004,
	author = {Maitra, N. T. and F. Zhang, R. J. Cave and Burke, K.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.1651060},
	journal = {J. Chem. Phys.},
	pages = {5932-5937},
	title = {Double Excitations within Time-Dependent Density Functional Theory Linear Response},
	volume = {120},
	year = {2004},
	bdsk-url-1 = {https://doi.org/10.1063/1.1651060}}

@incollection{Maitra_2012,
	address = {{Berlin, Heidelberg}},
	author = {Maitra, Neepa T.},
	booktitle = {Fundamentals of Time-Dependent Density Functional Theory},
	date-added = {2022-03-23 10:47:34 +0100},
	date-modified = {2022-03-23 10:47:34 +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},
	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 = {Maitra, N. T.},
	date-added = {2022-03-23 10:47:34 +0100},
	date-modified = {2022-03-23 10:47:34 +0100},
	journal = {J. Phys. Cond. Matt.},
	keywords = {10.1088/1361-648X/aa836e},
	pages = {423001},
	title = {Charge Transfer in Time-Dependent Density Functional Theory},
	volume = {29},
	year = {2017}}

@article{Malrieu_2003,
	author = {Malrieu, Jean-Paul and Angeli, Celestino},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1080/00268976.2013.788745},
	journal = {Mol. Phys.},
	number = {9-11},
	pages = {1092--1099},
	title = {The {{M\o ller}}\textendash{{Plesset}} Perturbation Revisited: Origin of High-Order Divergences},
	volume = {111},
	year = {2013},
	bdsk-url-1 = {https://doi.org/10.1080/00268976.2013.788745}}

@article{Manohar_2008,
	author = {Manohar, Prashant U. and Krylov, Anna I.},
	date-modified = {2022-03-23 11:52:20 +0100},
	doi = {10.1063/1.3013087},
	file = {/Users/monino/Zotero/storage/B776SM2U/Manohar et Krylov - 2008 - A noniterative perturbative triples correction for.pdf},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = nov,
	number = {19},
	pages = {194105},
	publisher = {{American Institute of Physics}},
	title = {A Noniterative Perturbative Triples Correction for the Spin-Flipping and Spin-Conserving Equation-of-Motion Coupled-Cluster Methods with Single and Double Substitutions},
	volume = {129},
	year = {2008},
	bdsk-url-1 = {https://doi.org/10.1063/1.3013087}}

@article{Mardirossian_2014,
	author = {Mardirossian, Narbe and {Head-Gordon}, Martin},
	date-modified = {2022-03-23 11:52:23 +0100},
	doi = {10.1039/C3CP54374A},
	file = {/Users/monino/Zotero/storage/PBFZUPH8/Mardirossian et Head-Gordon - 2014 - ωB97X-V A 10-parameter, range-separated hybrid, g.pdf;/Users/monino/Zotero/storage/62SX8LRD/c3cp54374a.html},
	issn = {1463-9084},
	journal = {Phys. Chem. Chem. Phys.},
	langid = {english},
	month = may,
	number = {21},
	pages = {9904--9924},
	publisher = {{The Royal Society of Chemistry}},
	shorttitle = {{{$\omega$B97X-V}}},
	title = {{{$\omega$B97X-V}}: {{A}} 10-{{Parameter}}, Range-Separated Hybrid, Generalized Gradient Approximation Density Functional with Nonlocal Correlation, Designed by a Survival-of-the-Fittest Strategy},
	volume = {16},
	year = {2014},
	bdsk-url-1 = {https://doi.org/10.1039/C3CP54374A}}

@article{Marie_2021a,
	author = {Marie, Antoine and Burton, Hugh G. A. and Loos, Pierre-Fran{\c c}ois},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1088/1361-648X/abe795},
	journal = {J. Phys.: Condens. Matter},
	pages = {283001},
	title = {Perturbation Theory in the Complex Plane: {{Exceptional}} Points and Where to Find Them},
	volume = {33},
	year = {2021},
	bdsk-url-1 = {https://doi.org/10.1088/1361-648X/abe795}}

@misc{Marie_2021b,
	archiveprefix = {arXiv},
	author = {Marie, Antoine and Kossoski, F{\'a}bris and Loos, Pierre-Fran{\c c}ois},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	eprint = {2106.11305},
	eprinttype = {arxiv},
	primaryclass = {physics.chem-ph},
	title = {Variational Coupled Cluster for Ground and Excited States},
	year = {2021}}

@article{Matthews_2015a,
	author = {Matthews, Devin A. and Stanton, John F.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.4936241},
	journal = {J. Chem. Phys.},
	number = {20},
	pages = {204103},
	title = {Accelerating the Convergence of Higher-Order Coupled Cluster Methods},
	volume = {143},
	year = {2015},
	bdsk-url-1 = {https://doi.org/10.1063/1.4936241}}

@article{Matthews_2015b,
	author = {Matthews, Devin A. and Stanton, John F.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.4907278},
	journal = {J. Chem. Phys.},
	number = {6},
	pages = {064108},
	title = {Non-Orthogonal Spin-Adaptation of Coupled Cluster Methods: {{A}} New Implementation of Methods Including Quadruple Excitations},
	volume = {142},
	year = {2015},
	bdsk-url-1 = {https://doi.org/10.1063/1.4907278}}

@article{Matthews_2020,
	author = {Matthews, Devin A. and Cheng, Lan and Harding, Michael E. and Lipparini, Filippo and Stopkowicz, Stella and Jagau, Thomas-C. and Szalay, P{\'e}ter G. and Gauss, J{\"u}rgen and Stanton, John F.},
	date-added = {2022-03-28 21:47:45 +0200},
	date-modified = {2022-03-28 21:47:45 +0200},
	doi = {10.1063/5.0004837},
	journal = {J. Chem. Phys.},
	number = {21},
	pages = {214108},
	title = {Coupled-Cluster Techniques for Computational Chemistry: {{The CFOUR}} Program Package},
	volume = {152},
	year = {2020},
	bdsk-url-1 = {https://doi.org/10.1063/5.0004837}}

@article{Matthews_2021,
	author = {Matthews, Devin A.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/acs.jctc.0c00522},
	journal = {J. Chem. Theory Comput.},
	number = {10},
	pages = {6195--6206},
	title = {Analytic Gradients of Approximate Coupled Cluster Methods with Quadruple Excitations},
	volume = {16},
	year = {2020},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.0c00522}}

@book{Minkin_1994,
	author = {Minkin, Vladimir I and Glukhovtsev, Mikhail N. and Simkin, Boris Ya.},
	date-modified = {2022-03-23 11:52:27 +0100},
	file = {/Users/monino/Zotero/storage/9LS3CE9G/Aromaticity+and+Antiaromaticity+Electronic+and+Structural+Aspects-p-9780471593829.html},
	shorttitle = {Aromaticity and {{Antiaromaticity}}},
	title = {Aromaticity and {{Antiaromaticity}}: {{Electronic}} and {{Structural Aspects}} | {{Wiley}}},
	year = {1994}}

@article{Moller_1934,
	author = {M{\o}ller, Chr. and Plesset, M. S.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1103/PhysRev.46.618},
	journal = {Phys. Rev.},
	month = oct,
	number = {7},
	pages = {618--622},
	publisher = {{American Physical Society}},
	title = {Note on an Approximation Treatment for Many-Electron Systems},
	volume = {46},
	year = {1934},
	bdsk-url-1 = {https://doi.org/10.1103/PhysRev.46.618},
	bdsk-url-2 = {https://doi.org/10.1103/PhysRev.46.618}}

@article{Monkhorst_1977,
	author = {Monkhorst, Hendrik J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1002/qua.560120850},
	journal = {Int. J. Quantum Chem.},
	pages = {421--432},
	title = {Calculation of Properties with the Coupled-Cluster Method},
	volume = {12},
	year = {1977},
	bdsk-url-1 = {https://doi.org/10.1002/qua.560120850},
	bdsk-url-2 = {https://doi.org/10.1002/qua.560120850}}

@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 = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	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{Motta_2018,
	author = {Motta, M. and Zhang, S.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1002/wcms.1364},
	journal = {WIREs Comput. Mol. Sci.},
	pages = {e1364},
	title = {Ab Initio Computations of Molecular Systems by the Auxiliary-field Quantum {{Monte Carlo}} Method},
	volume = {8},
	year = {2018},
	bdsk-url-1 = {https://doi.org/10.1002/wcms.1364}}

@article{Motta_2019,
	archiveprefix = {arXiv},
	author = {Motta, Mario and Genovese, Claudio and Ma, Fengjie and Cui, Zhi-Hao and Sawaya, Randy and Chan, Garnet Kin and Chepiga, Natalia and Helms, Phillip and {Jimenez-Hoyos}, Carlos and Millis, Andrew J and others},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	eprint = {1911.01618},
	eprinttype = {arxiv},
	journal = {arXiv:1911.01618},
	title = {Ground-State Properties of the Hydrogen Chain: Insulator-to-Metal Transition, Dimerization, and Magnetic Phases},
	year = {2019}}

@article{mrcc,
	author = {K{\'a}llay, Mih{\'a}ly and Nagy, P{\'e}ter R. and Mester, D{\'a}vid and Rolik, Zolt{\'a}n and Samu, Gyula and Csontos, J{\'o}zsef and Cs{\'o}ka, J{\'o}zsef and Szab{\'o}, P. Bern{\'a}t and {Gyevi-Nagy}, L{\'a}szl{\'o} and H{\'e}gely, Bence and Ladj{\'a}nszki, Istv{\'a}n and Szegedy, L{\'o}r{\'a}nt and Lad{\'o}czki, Bence and Petrov, Kl{\'a}ra and Farkas, M{\'a}t{\'e} and Mezei, P{\'a}l D. and Ganyecz, {\'A}d{\'a}m},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.5142048},
	journal = {J. Chem. Phys.},
	number = {7},
	pages = {074107},
	title = {The {{MRCC}} Program System: {{Accurate}} Quantum Chemistry from Water to Proteins},
	volume = {152},
	year = {2020},
	bdsk-url-1 = {https://doi.org/10.1063/1.5142048}}

@article{Nobes_1987,
	author = {Nobes, R. H. and Pople, J. A. and Radom, L. and Handy, N. C. and Knowles, P. J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1016/0009-2614(87)80545-6},
	journal = {Chem. Phys. Lett.},
	pages = {481},
	title = {Slow Convergence of the {{M}}\textendash{{Plesset}} Perturbation Series: The Dissociation Energy of Hydrogen Cyanide and the Electron Affinity of the Cyano Radical},
	volume = {138},
	year = {1987},
	bdsk-url-1 = {https://doi.org/10.1016/0009-2614(87)80545-6}}

@book{Nocedal_1999,
	address = {{New York, NY, USA}},
	author = {Nocedal, Jorge and Wright, Stephen J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1007/b98874},
	issn = {1431-8598},
	publisher = {{Springer, New York, NY}},
	title = {Numerical Optimization},
	year = {1999},
	bdsk-url-1 = {https://doi.org/10.1007/b98874}}

@article{Noga_1987a,
	author = {Noga, Jozef and Bartlett, Rodney J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.452353},
	journal = {J. Chem. Phys.},
	number = {12},
	pages = {7041--7050},
	title = {The Full {{CCSDT}} Model for Molecular Electronic Structure},
	volume = {86},
	year = {1987},
	bdsk-url-1 = {https://doi.org/10.1063/1.452353}}

@article{Noga_1987b,
	author = {Noga, Jozef and Bartlett, Rodney J. and Urban, Miroslav},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1016/0009-2614(87)87107-5},
	journal = {Chem. Phys. Lett.},
	number = {2},
	pages = {126--132},
	title = {Towards a Full {{CCSDT}} Model for Electron Correlation. {{CCSDT-n}} Models},
	volume = {134},
	year = {1987},
	bdsk-url-1 = {https://doi.org/10.1016/0009-2614(87)87107-5},
	bdsk-url-2 = {https://doi.org/10.1016/0009-2614(87)87107-5}}

@article{Ohtsuka_2017,
	author = {Ohtsuka, Yuhki and Hasegawa, Jun-ya},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.4993214},
	issn = {1089-7690},
	journal = {J. Chem. Phys.},
	pages = {034102},
	publisher = {{AIP Publishing}},
	title = {Selected Configuration Interaction Method Using Sampled First-Order Corrections to Wave Functions},
	volume = {147},
	year = {2017},
	bdsk-url-1 = {https://doi.org/10.1063/1.4993214}}

@article{Oliphant_1991,
	author = {Oliphant, N. and Adamowicz, L.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.461534},
	journal = {J. Chem. Phys.},
	pages = {6645-6651},
	title = {Coupled-Cluster Method Truncated at Quadruples},
	volume = {95},
	year = {1991},
	bdsk-url-1 = {https://doi.org/10.1063/1.461534}}

@book{Olivucci_2010,
	address = {{Amsterdam; Boston (Mass.); Paris}},
	author = {Olivucci, Massimo},
	date-added = {2022-03-21 21:36:56 +0100},
	date-modified = {2022-03-21 21:57:18 +0100},
	isbn = {978-0-08-045519-8},
	publisher = {{Elsevier Science}},
	title = {Computational Photochemistry},
	year = {2010}}

@article{Paldus_1972,
	author = {Paldus, J. and Cizek, J. and Shavitt, I.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-04-05 15:33:05 +0200},
	doi = {10.1103/PhysRevA.5.50},
	journal = {Phys. Rev. A},
	month = jan,
	number = {1},
	pages = {50--67},
	publisher = {{American Physical Society}},
	title = {Correlation Problems in Atomic and Molecular Systems. {{IV}}. {{Extended}} Coupled-Pair Many-Electron Theory and Its Application to the {{bH}}{$_3$} Molecule},
	volume = {5},
	year = {1972},
	bdsk-url-1 = {https://doi.org/10.1103/PhysRevA.5.50},
	bdsk-url-2 = {https://doi.org/10.1103/PhysRevA.5.50}}

@article{Paldus_2017,
	author = {Paldus, J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1007/s10910-016-0688-6},
	journal = {J. Math. Chem},
	pages = {477--502},
	title = {Externally and Internally Corrected Coupled Cluster Approaches: An Overview},
	volume = {55},
	year = {2017},
	bdsk-url-1 = {https://doi.org/10.1007/s10910-016-0688-6}}

@article{Peverati_2011,
	author = {Peverati, Roberto and Truhlar, Donald G.},
	date-modified = {2022-03-23 11:53:13 +0100},
	doi = {10.1021/jz201170d},
	file = {/Users/monino/Zotero/storage/8VJHHE9A/Peverati et Truhlar - 2011 - Improving the Accuracy of Hybrid Meta-GGA Density .pdf;/Users/monino/Zotero/storage/3XX4Q593/jz201170d.html},
	journal = {J. Phys. Chem. Lett.},
	month = nov,
	number = {21},
	pages = {2810--2817},
	publisher = {{American Chemical Society}},
	title = {Improving the {{Accuracy}} of {{Hybrid Meta-GGA Density Functionals}} by {{Range Separation}}},
	volume = {2},
	year = {2011},
	bdsk-url-1 = {https://doi.org/10.1021/jz201170d}}

@article{Piecuch_2002,
	author = {Piecuch, Piotr and Kowalski, Karol and Pimienta, Ian S. O. and Mcguire, Michael J.},
	date-added = {2022-03-21 21:51:24 +0100},
	date-modified = {2022-03-21 21:58:10 +0100},
	doi = {10.1080/0144235021000053811},
	journal = {Int. Rev. Phys. Chem.},
	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},
	volume = {21},
	year = {2002},
	bdsk-url-1 = {https://doi.org/10.1080/0144235021000053811}}

@article{Piecuch_2002a,
	author = {Piecuch, Piotr and Kucharski, Stanis{\l}aw A. and Kowalski, Karol and Musia{\l}, Monika},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1016/S0010-4655(02)00598-2},
	issn = {0010-4655},
	journal = {Comput. Phys. Commun.},
	month = dec,
	number = {2},
	pages = {71--96},
	publisher = {{North-Holland}},
	title = {Efficient Computer Implementation of the Renormalized Coupled-Cluster Methods: {{The R-CCSD}}[{{T}}], r-Ccsd(t), {{CR-CCSD}}[{{T}}], and {{CR-CCSD}}({{T}}) Approaches},
	volume = {149},
	year = {2002},
	bdsk-url-1 = {https://doi.org/10.1016/S0010-4655(02)00598-2}}

@article{Piecuch_2002b,
	author = {Piecuch, Piotr and Kowalski, Karol and Pimienta, Ian S. O. and Mcguire, Michael J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1080/0144235021000053811},
	journal = {Int. Rev. Phys. Chem.},
	pages = {527--655},
	title = {Recent Advances in Electronic Structure Theory: {{Method}} of Moments of Coupled-Cluster Equations and Renormalized Coupled-Cluster Approaches},
	volume = {21},
	year = {2002},
	bdsk-url-1 = {https://doi.org/10.1080/0144235021000053811}}

@article{Piecuch_2005,
	author = {Piecuch, Piotr and W{\l}och, Marta},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.2137318},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = dec,
	number = {22},
	pages = {224105},
	publisher = {{American Institute of Physics}},
	title = {Renormalized Coupled-Cluster Methods Exploiting Left Eigenstates of the Similarity-Transformed {{Hamiltonian}}},
	volume = {123},
	year = {2005},
	bdsk-url-1 = {https://doi.org/10.1063/1.2137318}}

@article{Pipek_1989,
	author = {Pipek, Janos and Mezey, Paul G.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.456588},
	journal = {J. Chem. Phys.},
	pages = {4916},
	title = {A Fast Intrinsic Localization Procedure Applicable for Ab Initio and Semiempirical Linear Combination of Atomic Orbital Wave Functions},
	volume = {90},
	year = {1989},
	bdsk-url-1 = {https://doi.org/10.1063/1.456588}}

@article{Pople_1976,
	author = {Pople, John A. and Binkley, J. Stephen and Seeger, Rolf},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1002/qua.560100802},
	journal = {Int. J. Quantum Chem.},
	number = {S10},
	pages = {1--19},
	title = {Theoretical Models Incorporating Electron Correlation},
	volume = {10},
	year = {1976},
	bdsk-url-1 = {https://doi.org/10.1002/qua.560100802},
	bdsk-url-2 = {https://doi.org/10.1002/qua.560100802}}

@article{Povill_1992,
	author = {Povill, A. and Rubio, J. and Illas, F.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1007/BF01113255},
	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},
	bdsk-url-1 = {https://doi.org/10.1007/BF01113255}}

@article{Purvis_1982,
	author = {Purvis, George D. and Bartlett, Rodney J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.443164},
	journal = {J. Chem. Phys.},
	pages = {1910--1918},
	publisher = {{American Institute of Physics}},
	title = {A Full Coupled-Cluster Singles and Doubles Model: {{The}} Inclusion of Disconnected Triples},
	volume = {76},
	year = {1982},
	bdsk-url-1 = {https://doi.org/10.1063/1.443164}}

@article{qchem,
	author = {Epifanovsky, Evgeny and Gilbert, Andrew T. B. and Feng, Xintian and Lee, Joonho and Mao, Yuezhi and Mardirossian, Narbe and Pokhilko, Pavel and White, Alec F. and Coons, Marc P. and Dempwolff, Adrian L. and Gan, Zhengting and Hait, Diptarka and Horn, Paul R. and Jacobson, Leif D. and Kaliman, Ilya and Kussmann, J{\"o}rg and Lange, Adrian W. and Lao, Ka Un and Levine, Daniel S. and Liu, Jie and McKenzie, Simon C. and Morrison, Adrian F. and Nanda, Kaushik D. and Plasser, Felix and Rehn, Dirk R. and Vidal, Marta L. and You, Zhi-Qiang and Zhu, Ying and Alam, Bushra and Albrecht, Benjamin J. and Aldossary, Abdulrahman and Alguire, Ethan and Andersen, Josefine H. and Athavale, Vishikh and Barton, Dennis and Begam, Khadiza and Behn, Andrew and Bellonzi, Nicole and Bernard, Yves A. and Berquist, Eric J. and Burton, Hugh G. A. and Carreras, Abel and {Carter-Fenk}, Kevin and Chakraborty, Romit and Chien, Alan D. and Closser, Kristina D. and {Cofer-Shabica}, Vale and Dasgupta, Saswata and {de Wergifosse}, Marc and Deng, Jia and Diedenhofen, Michael and Do, Hainam and Ehlert, Sebastian and Fang, Po-Tung and Fatehi, Shervin and Feng, Qingguo and Friedhoff, Triet and Gayvert, James and Ge, Qinghui and Gidofalvi, Gergely and Goldey, Matthew and Gomes, Joe and {Gonz{\'a}lez-Espinoza}, Cristina E. and Gulania, Sahil and Gunina, Anastasia O. and {Hanson-Heine}, Magnus W. D. and Harbach, Phillip H. P. and Hauser, Andreas and Herbst, Michael F. and Hern{\'a}ndez Vera, Mario and Hodecker, Manuel and Holden, Zachary C. and Houck, Shannon and Huang, Xunkun and Hui, Kerwin and Huynh, Bang C. and Ivanov, Maxim and J{\'a}sz, {\'A}d{\'a}m and Ji, Hyunjun and Jiang, Hanjie and Kaduk, Benjamin and K{\"a}hler, Sven and Khistyaev, Kirill and Kim, Jaehoon and Kis, Gergely and Klunzinger, Phil and {Koczor-Benda}, Zsuzsanna and Koh, Joong Hoon and Kosenkov, Dimitri and Koulias, Laura and Kowalczyk, Tim and Krauter, Caroline M. and Kue, Karl and Kunitsa, Alexander and Kus, Thomas and Ladj{\'a}nszki, Istv{\'a}n and Landau, Arie and Lawler, Keith V. and Lefrancois, Daniel and Lehtola, Susi and Li, Run R. and Li, Yi-Pei and Liang, Jiashu and Liebenthal, Marcus and Lin, Hung-Hsuan and Lin, You-Sheng and Liu, Fenglai and Liu, Kuan-Yu and Loipersberger, Matthias and Luenser, Arne and Manjanath, Aaditya and Manohar, Prashant and Mansoor, Erum and Manzer, Sam F. and Mao, Shan-Ping and Marenich, Aleksandr V. and Markovich, Thomas and Mason, Stephen and Maurer, Simon A. and McLaughlin, Peter F. and Menger, Maximilian F. S. J. and Mewes, Jan-Michael and Mewes, Stefanie A. and Morgante, Pierpaolo and Mullinax, J. Wayne and Oosterbaan, Katherine J. and Paran, Garrette and Paul, Alexander C. and Paul, Suranjan K. and Pavo{\v s}evi{\'c}, Fabijan and Pei, Zheng and Prager, Stefan and Proynov, Emil I. and R{\'a}k, {\'A}d{\'a}m and {Ramos-Cordoba}, Eloy and Rana, Bhaskar and Rask, Alan E. and Rettig, Adam and Richard, Ryan M. and Rob, Fazle and Rossomme, Elliot and Scheele, Tarek and Scheurer, Maximilian and Schneider, Matthias and Sergueev, Nickolai and Sharada, Shaama M. and Skomorowski, Wojciech and Small, David W. and Stein, Christopher J. and Su, Yu-Chuan and Sundstrom, Eric J. and Tao, Zhen and Thirman, Jonathan and Tornai, G{\'a}bor J. and Tsuchimochi, Takashi and Tubman, Norm M. and Veccham, Srimukh Prasad and Vydrov, Oleg and Wenzel, Jan and Witte, Jon and Yamada, Atsushi and Yao, Kun and Yeganeh, Sina and Yost, Shane R. and Zech, Alexander and Zhang, Igor Ying and Zhang, Xing and Zhang, Yu and Zuev, Dmitry and {Aspuru-Guzik}, Al{\'a}n and Bell, Alexis T. and Besley, Nicholas A. and Bravaya, Ksenia B. and Brooks, Bernard R. and Casanova, David and Chai, Jeng-Da and Coriani, Sonia and Cramer, Christopher J. and Cserey, Gy{\"o}rgy and DePrince, A. Eugene and DiStasio, Robert A. and Dreuw, Andreas and Dunietz, Barry D. and Furlani, Thomas R. and Goddard, William A. and {Hammes-Schiffer}, Sharon and {Head-Gordon}, Teresa and Hehre, Warren J. and Hsu, Chao-Ping and Jagau, Thomas-C. and Jung, Yousung and Klamt, Andreas and Kong, Jing and Lambrecht, Daniel S. and Liang, WanZhen and Mayhall, Nicholas J. and McCurdy, C. William and Neaton, Jeffrey B. and Ochsenfeld, Christian and Parkhill, John A. and Peverati, Roberto and Rassolov, Vitaly A. and Shao, Yihan and Slipchenko, Lyudmila V. and Stauch, Tim and Steele, Ryan P. and Subotnik, Joseph E. and Thom, Alex J. W. and Tkatchenko, Alexandre and Truhlar, Donald G. and Van Voorhis, Troy and Wesolowski, Tomasz A. and Whaley, K. Birgitta and Woodcock, H. Lee and Zimmerman, Paul M. and Faraji, Shirin and Gill, Peter M. W. and {Head-Gordon}, Martin and Herbert, John M. and Krylov, Anna I.},
	date-added = {2022-03-24 14:04:49 +0100},
	date-modified = {2022-03-24 14:05:03 +0100},
	doi = {10.1063/5.0055522},
	journal = {J. Chem. Phys.},
	number = {8},
	pages = {084801},
	title = {Software for the Frontiers of Quantum Chemistry: {{An}} Overview of Developments in the {{Q-Chem}} 5 Package},
	volume = {155},
	year = {2021},
	bdsk-url-1 = {https://doi.org/10.1063/5.0055522}}

@article{Qin_2020,
	author = {Qin, Mingpu and Chung, Chia-Min and Shi, Hao and Vitali, Ettore and Hubig, Claudius and Schollw{\"o}ck, Ulrich and White, Steven R and Zhang, Shiwei and others},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	journal = {Phys. Rev. X},
	number = {3},
	pages = {031016},
	publisher = {{APS}},
	title = {Absence of Superconductivity in the Pure Two-Dimensional {{Hubbard}} Model},
	volume = {10},
	year = {2020}}

@article{Qu_2015,
	author = {Qu, Zexing and Yang, Chen and Liu, Chungen},
	date-modified = {2022-03-23 11:53:18 +0100},
	doi = {10.1021/jp503220q},
	file = {/Users/monino/Zotero/storage/9XC7K3P2/Qu et al. - 2015 - Photoisomerization of Silyl-Substituted Cyclobutad.pdf;/Users/monino/Zotero/storage/5NT4FC7W/jp503220q.html},
	issn = {1089-5639},
	journal = {J. Phys. Chem. A},
	month = jan,
	number = {3},
	pages = {442--451},
	publisher = {{American Chemical Society}},
	shorttitle = {Photoisomerization of {{Silyl-Substituted Cyclobutadiene Induced}} by {{$\sigma$ \textrightarrow}} {{$\pi$}}* {{Excitation}}},
	title = {Photoisomerization of {{Silyl-Substituted Cyclobutadiene Induced}} by {{$\sigma$ \textrightarrow}} {{$\pi$}}* {{Excitation}}: {{A Computational Study}}},
	volume = {119},
	year = {2015},
	bdsk-url-1 = {https://doi.org/10.1021/jp503220q}}

@article{Raghavachari_1989,
	author = {Raghavachari, Krishnan and Trucks, Gary W. and Pople, John A. and {Head-Gordon}, Martin},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1016/S0009-2614(89)87395-6},
	ids = {Raghavachari_1989a},
	journal = {Chem. Phys. Lett.},
	pages = {479--483},
	title = {A Fifth-Order Perturbation Comparison of Electron Correlation Theories},
	volume = {157},
	year = {1989},
	bdsk-url-1 = {https://doi.org/10.1016/S0009-2614(89)87395-6}}

@article{Reeves_1969,
	author = {Reeves, P. C. and Henery, J. and Pettit, R.},
	date-modified = {2022-03-23 11:53:22 +0100},
	doi = {10.1021/ja01049a042},
	file = {/Users/monino/Zotero/storage/I2PMD3A4/Reeves et al. - 1969 - Further experiments pertaining to the ground state.pdf;/Users/monino/Zotero/storage/3HBEL5FV/ja01049a042.html},
	issn = {0002-7863},
	journal = {J. Am. Chem. Soc.},
	month = oct,
	number = {21},
	pages = {5888--5890},
	publisher = {{American Chemical Society}},
	title = {Further Experiments Pertaining to the Ground State of Cyclobutadiene},
	volume = {91},
	year = {1969},
	bdsk-url-1 = {https://doi.org/10.1021/ja01049a042}}

@article{Rico_1993,
	author = {Rico, Rudolph J. and {Head-Gordon}, Martin},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1016/0009-2614(93)85124-7},
	journal = {Chem. Phys. Lett.},
	number = {3},
	pages = {224--232},
	title = {Single-Reference Theories of Molecular Excited States with Single and Double Substitutions},
	volume = {213},
	year = {1993},
	bdsk-url-1 = {https://doi.org/10.1016/0009-2614(93)85124-7},
	bdsk-url-2 = {https://doi.org/10.1016/0009-2614(93)85124-7}}

@incollection{Roos_1995a,
	address = {{Dordrecht}},
	author = {Roos, Bj{\"o}rn O. and F{\"u}lscher, Markus and Malmqvist, Per-{\AA}ke and Merch{\'a}n, Manuela and {Serrano-Andr{\'e}s}, Luis},
	booktitle = {Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy},
	date-added = {2022-03-23 11:58:08 +0100},
	date-modified = {2022-03-23 11:58:08 +0100},
	doi = {10.1007/978-94-011-0193-6_8},
	isbn = {978-94-011-0193-6},
	pages = {357--438},
	publisher = {{Springer Netherlands}},
	title = {Theoretical Studies of the Electronic Spectra of Organic Molecules},
	year = {1995},
	bdsk-url-1 = {https://doi.org/10.1007/978-94-011-0193-6_8}}

@article{Roos_1995b,
	author = {Roos, Bj{\"o}rn O. and Andersson, Kerstin},
	date-added = {2022-03-23 11:58:08 +0100},
	date-modified = {2022-03-23 11:58:08 +0100},
	doi = {10.1016/0009-2614(95)01010-7},
	issn = {0009-2614},
	journal = {Chem. Phys. Lett.},
	number = {2},
	pages = {215--223},
	title = {Multiconfigurational Perturbation Theory with Level Shift \textemdash{} the Cr{$_2$} Potential Revisited},
	volume = {245},
	year = {1995},
	bdsk-url-1 = {https://doi.org/10.1016/0009-2614(95)01010-7},
	bdsk-url-2 = {https://doi.org/10.1016/0009-2614(95)01010-7}}

@incollection{Roos_1996,
	author = {Roos, Bjorn O. and Andersson, Kerstin and Fulscher, Markus P. and Malmqvist, Per-{\^a}ke and {Serrano-Andr{\'e}s}, Luis and Pierloot, Kristin and Merch{\'a}n, Manuela},
	booktitle = {Advances in {{Chemical Physics}}},
	date-modified = {2022-03-23 11:53:25 +0100},
	doi = {10.1002/9780470141526.ch5},
	pages = {219--331},
	publisher = {{John Wiley \& Sons, Ltd}},
	shorttitle = {Multiconfigurational {{Perturbation Theory}}},
	title = {Multiconfigurational {{Perturbation Theory}}: {{Applications}} in {{Electronic Spectroscopy}}},
	year = {1996},
	bdsk-url-1 = {https://doi.org/10.1002/9780470141526.ch5}}

@article{Roos_1999,
	author = {Roos, Bj{\"o}rn O.},
	date-added = {2022-03-23 11:58:08 +0100},
	date-modified = {2022-03-23 11:58:08 +0100},
	doi = {10.1021/ar960091y},
	journal = {Acc. Chem. Res.},
	number = {2},
	pages = {137--144},
	title = {Theoretical Studies of Electronically Excited States of Molecular Systems Using Multiconfigurational Perturbation Theory},
	volume = {32},
	year = {1999},
	bdsk-url-1 = {https://doi.org/10.1021/ar960091y}}

@article{Roos_2002,
	author = {Roos, Bj{\"o}rn O. and Malmqvist, Per-{\AA}ke and Molina, Vincent and {Serrano-Andr{\'e}s}, Luis and Merch{\'a}n, Manuela},
	date-added = {2022-03-23 11:58:08 +0100},
	date-modified = {2022-03-23 11:58:08 +0100},
	doi = {10.1063/1.1465406},
	journal = {J. Chem. Phys.},
	number = {17},
	pages = {7526--7536},
	title = {Theoretical Characterization of the Lowest-Energy Absorption Band of Pyrrole},
	volume = {116},
	year = {2002},
	bdsk-url-1 = {https://doi.org/10.1063/1.1465406},
	bdsk-url-2 = {http://dx.doi.org/10.1063/1.1465406}}

@article{Rowe_1968,
	author = {Rowe, D. J.},
	date-added = {2022-03-23 11:48:22 +0100},
	date-modified = {2022-03-30 15:46:26 +0200},
	doi = {10.1103/RevModPhys.40.153},
	journal = {Rev. Mod. Phys.},
	pages = {153--166},
	publisher = {{American Physical Society}},
	title = {Equations-of-Motion Method and the Extended Shell Model},
	volume = {40},
	year = {1968},
	bdsk-url-1 = {https://doi.org/10.1103/RevModPhys.40.153},
	bdsk-url-2 = {https://doi.org/10.1103/RevModPhys.40.153}}

@article{Runge_1984,
	author = {Runge, E. and Gross, E. K. U.},
	date-added = {2022-03-23 11:17:53 +0100},
	date-modified = {2022-03-23 11:17:53 +0100},
	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{Saha_2006,
	author = {Saha, Biswajit and Ehara, Masahiro and Nakatsuji, Hiroshi},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.2200344},
	issn = {0021-9606, 1089-7690},
	journal = {J. Chem. Phys.},
	langid = {english},
	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{Sarkar_2021,
	author = {Sarkar, R. and {Boggio-Pasqua}, M. and Loos, P. F. and Jacquemin, D.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/acs.jctc.0c01228},
	journal = {J. Chem. Theory Comput.},
	pages = {1117--1132},
	title = {Benchmark of {{TD-DFT}} and Wavefunction Methods for Oscillator Strengths and Excited-State Dipole Moments},
	volume = {17},
	year = {2021},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.0c01228}}

@article{Sarkar_2022,
	author = {Sarkar, R. and Loos, P. F. and {Boggio-Pasqua}, M. and Jacquemin., D.},
	date-added = {2022-03-24 22:00:41 +0100},
	date-modified = {2022-03-24 22:00:41 +0100},
	doi = {10.1021/acs.jctc.1c01197},
	journal = {J. Chem. Theory Comput.},
	pages = {2418-2436},
	title = {Assessing the Performances of {{CASPT2}} and {{NEVPT2}} for Vertical Excitation Energies,},
	volume = {18},
	year = {2022},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.1c01197}}

@article{Sauer_2009,
	author = {Sauer, Stephan P. A. and Schreiber, Marko and {Silva-Junior}, Mario R. and Thiel, Walter},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/ct800256j},
	journal = {J. Chem. Theory Comput.},
	number = {3},
	pages = {555--564},
	title = {Benchmarks for Electronically Excited States: {{A}} Comparison of Noniterative and Iterative Triples Corrections in Linear Response Coupled Cluster Methods: {{CCSDR}}(3) versus {{CC3}}},
	volume = {5},
	year = {2009},
	bdsk-url-1 = {https://doi.org/10.1021/ct800256j}}

@article{Scemama_2013,
	author = {Scemama, Anthony and Caffarel, Michel and Oseret, Emmanuel and Jalby, William},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	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 = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	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 = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	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},
	volume = {37},
	year = {2016},
	bdsk-url-1 = {https://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 = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	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{VanderLugt_1969,
	author = {{Van der Lugt}, W. Th. A. M. and Oosterhoff, Luitzen J.},
	date-added = {2022-03-21 21:37:07 +0100},
	date-modified = {2022-03-21 21:37:07 +0100},
	doi = {10.1021/ja01050a019},
	issn = {0002-7863},
	journal = {J. Am. Chem. Soc.},
	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}}

@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 = {2022-03-21 21:37:02 +0100},
	date-modified = {2022-03-21 21:37:02 +0100},
	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{Scemama_2018b,
	author = {Scemama, Anthony and Benali, Anouar and Jacquemin, Denis and Caffarel, Michel and Loos, Pierre-Fran{\c c}ois},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	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 = {Scemama, A. and Caffarel, M. and Benali, A. and Jacquemin, D. and Loos., P. F.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	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{Scemama_2020,
	author = {Scemama, Anthony and Giner, Emmanuel and Benali, Anouar and Loos, Pierre-Fran{\c c}ois},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +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},
	year = {2020},
	bdsk-url-1 = {https://doi.org/10.1063/5.0026324}}

@article{Schapiro_2013,
	author = {Schapiro, Igor and Sivalingam, Kantharuban and Neese, Frank},
	date-added = {2022-03-24 22:00:34 +0100},
	date-modified = {2022-03-24 22:00:34 +0100},
	doi = {10.1021/ct400136y},
	journal = {J. Chem. Theory Comput.},
	number = {8},
	pages = {3567--3580},
	title = {Assessment of {{n}}-{{Electron}} Valence State Perturbation Theory for Vertical Excitation Energies},
	volume = {9},
	year = {2013},
	bdsk-url-1 = {https://doi.org/10.1021/ct400136y}}

@article{Schirmer_1982,
	author = {Schirmer, Jochen},
	date-modified = {2022-03-23 11:53:30 +0100},
	doi = {10.1103/PhysRevA.26.2395},
	file = {/Users/monino/Zotero/storage/E6ICVKJY/Schirmer - 1982 - Beyond the random-phase approximation A new appro.pdf;/Users/monino/Zotero/storage/VTTD3CQZ/PhysRevA.26.html},
	journal = {Phys. Rev. A},
	month = nov,
	number = {5},
	pages = {2395--2416},
	publisher = {{American Physical Society}},
	shorttitle = {Beyond the Random-Phase Approximation},
	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{Schoonmaker_2018,
	author = {Schoonmaker, R. and Lancaster, T. and Clark, S. J.},
	date-modified = {2022-03-23 11:53:34 +0100},
	doi = {10.1063/1.5019254},
	file = {/Users/monino/Zotero/storage/XWW4NWJN/Schoonmaker et al. - 2018 - Quantum mechanical tunneling in the automerization.pdf},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = mar,
	number = {10},
	pages = {104109},
	publisher = {{American Institute of Physics}},
	title = {Quantum Mechanical Tunneling in the Automerization of Cyclobutadiene},
	volume = {148},
	year = {2018},
	bdsk-url-1 = {https://doi.org/10.1063/1.5019254}}

@article{Schreiber_2008,
	author = {Schreiber, M. and {Silva-Junior}, M. R. and Sauer, S. P. A. and Thiel, W.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.2889385},
	journal = {J. Chem. Phys.},
	pages = {134110},
	title = {Benchmarks for Electronically Excited States: {{CASPT2}}, {{CC2}}, {{CCSD}} and {{CC3}}},
	volume = {128},
	year = {2008},
	bdsk-url-1 = {https://doi.org/10.1063/1.2889385}}

@article{Schriber_2016,
	author = {Schriber, Jeffrey B. and Evangelista, Francesco A.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.4948308},
	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},
	volume = {144},
	year = {2016},
	bdsk-url-1 = {https://doi.org/10.1063/1.4948308},
	bdsk-url-2 = {http://dx.doi.org/10.1063/1.4948308}}

@article{Schriber_2017,
	author = {Schriber, Jeffrey B. and Evangelista, Francesco A.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	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{Scuseria_1988,
	author = {Scuseria, Gustavo E. and Schaefer, Henry F.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1016/0009-2614(88)80110-6},
	issn = {0009-2614},
	journal = {Chem. Phys. Lett.},
	number = {4},
	pages = {382--386},
	title = {A New Implementation of the Full {{CCSDT}} Model for Molecular Electronic Structure},
	volume = {152},
	year = {1988},
	bdsk-url-1 = {https://doi.org/10.1016/0009-2614(88)80110-6},
	bdsk-url-2 = {https://doi.org/10.1016/0009-2614(88)80110-6}}

@article{Sears_2003,
	author = {Sears, John S. and Sherrill, C. David and Krylov, Anna I.},
	date-added = {2022-03-23 11:55:46 +0100},
	date-modified = {2022-03-23 11:55:46 +0100},
	doi = {10.1063/1.1568735},
	journal = {J. Chem. Phys.},
	number = {20},
	pages = {9084--9094},
	title = {A Spin-Complete Version of the Spin-Flip Approach to Bond Breaking: {{What}} Is the Impact of Obtaining Spin Eigenfunctions?},
	volume = {118},
	year = {2003},
	bdsk-url-1 = {https://doi.org/10.1063/1.1568735}}

@article{Sears_2011,
	author = {Sears, John S. and Koerzdoerfer, Thomas and Zhang, Cai-Rong and Br{\'e}das, Jean-Luc},
	date-added = {2022-03-23 11:48:31 +0100},
	date-modified = {2022-03-23 11:48:31 +0100},
	doi = {10.1063/1.3656734},
	eprint = {https://doi.org/10.1063/1.3656734},
	journal = {J. Chem. Phys.},
	pages = {151103},
	title = {Communication: {{Orbital}} Instabilities and Triplet States from Time-Dependent Density Functional Theory and Long-Range Corrected Functionals},
	volume = {135},
	year = {2011},
	bdsk-url-1 = {https://doi.org/10.1063/1.3656734}}

@article{Sekino_1984,
	author = {Sekino, Hideo and Bartlett, Rodney J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1002/qua.560260826},
	journal = {Int. J. Quantum Chem.},
	number = {S18},
	pages = {255--265},
	title = {A Linear Response, Coupled-Cluster Theory for Excitation Energy},
	volume = {26},
	year = {1984},
	bdsk-url-1 = {https://doi.org/10.1002/qua.560260826},
	bdsk-url-2 = {https://doi.org/10.1002/qua.560260826}}

@article{Shao_2003,
	author = {Shao, Yihan and {Head-Gordon}, Martin and Krylov, Anna I.},
	date-added = {2022-04-02 21:11:09 +0200},
	date-modified = {2022-04-02 21:11:09 +0200},
	doi = {10.1063/1.1545679},
	journal = {J. Chem. Phys.},
	number = {11},
	pages = {4807--4818},
	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{Shao_2015,
	author = {Shao, Yihan and Gan, Zhengting and Epifanovsky, Evgeny and Gilbert, Andrew T.B. and Wormit, Michael and Kussmann, Joerg and Lange, Adrian W. and Behn, Andrew and Deng, Jia and Feng, Xintian and Ghosh, Debashree and Goldey, Matthew and Horn, Paul R. and Jacobson, Leif D. and Kaliman, Ilya and Khaliullin, Rustam Z. and Ku{\'s}, Tomasz and Landau, Arie and Liu, Jie and Proynov, Emil I. and Rhee, Young Min and Richard, Ryan M. and Rohrdanz, Mary A. and Steele, Ryan P. and Sundstrom, Eric J. and Woodcock, H. Lee and Zimmerman, Paul M. and Zuev, Dmitry and Albrecht, Ben and Alguire, Ethan and Austin, Brian and Beran, Gregory J. O. and Bernard, Yves A. and Berquist, Eric and Brandhorst, Kai and Bravaya, Ksenia B. and Brown, Shawn T. and Casanova, David and Chang, Chun-Min and Chen, Yunqing and Chien, Siu Hung and Closser, Kristina D. and Crittenden, Deborah L. and Diedenhofen, Michael and DiStasio, Robert A. and Do, Hainam and Dutoi, Anthony D. and Edgar, Richard G. and Fatehi, Shervin and {Fusti-Molnar}, Laszlo and Ghysels, An and {Golubeva-Zadorozhnaya}, Anna and Gomes, Joseph and {Hanson-Heine}, Magnus W.D. and Harbach, Philipp H.P. and Hauser, Andreas W. and Hohenstein, Edward G. and Holden, Zachary C. and Jagau, Thomas-C. and Ji, Hyunjun and Kaduk, Benjamin and Khistyaev, Kirill and Kim, Jaehoon and Kim, Jihan and King, Rollin A. and Klunzinger, Phil and Kosenkov, Dmytro and Kowalczyk, Tim and Krauter, Caroline M. and Lao, Ka Un and Laurent, Ad{\`e}le D. and Lawler, Keith V. and Levchenko, Sergey V. and Lin, Ching Yeh and Liu, Fenglai and Livshits, Ester and Lochan, Rohini C. and Luenser, Arne and Manohar, Prashant and Manzer, Samuel F. and Mao, Shan-Ping and Mardirossian, Narbe and Marenich, Aleksandr V. and Maurer, Simon A. and Mayhall, Nicholas J. and Neuscamman, Eric and Oana, C. Melania and {Olivares-Amaya}, Roberto and O'Neill, Darragh P. and Parkhill, John A. and Perrine, Trilisa M. and Peverati, Roberto and Prociuk, Alexander and Rehn, Dirk R. and Rosta, Edina and Russ, Nicholas J. and Sharada, Shaama M. and Sharma, Sandeep and Small, David W. and Sodt, Alexander and Stein, Tamar and St{\"u}ck, David and Su, Yu-Chuan and Thom, Alex J.W. and Tsuchimochi, Takashi and Vanovschi, Vitalii and Vogt, Leslie and Vydrov, Oleg and Wang, Tao and Watson, Mark A. and Wenzel, Jan and White, Alec and Williams, Christopher F. and Yang, Jun and Yeganeh, Sina and Yost, Shane R. and You, Zhi-Qiang and Zhang, Igor Ying and Zhang, Xing and Zhao, Yan and Brooks, Bernard R. and Chan, Garnet K.L. and Chipman, Daniel M. and Cramer, Christopher J. and Goddard, William A. and Gordon, Mark S. and Hehre, Warren J. and Klamt, Andreas and Schaefer, Henry F. and Schmidt, Michael W. and Sherrill, C. David and Truhlar, Donald G. and Warshel, Arieh and Xu, Xin and {Aspuru-Guzik}, Al{\'a}n and Baer, Roi and Bell, Alexis T. and Besley, Nicholas A. and Chai, Jeng-Da and Dreuw, Andreas and Dunietz, Barry D. and Furlani, Thomas R. and Gwaltney, Steven R. and Hsu, Chao-Ping and Jung, Yousung and Kong, Jing and Lambrecht, Daniel S. and Liang, WanZhen and Ochsenfeld, Christian and Rassolov, Vitaly A. and Slipchenko, Lyudmila V. and Subotnik, Joseph E. and Van Voorhis, Troy and Herbert, John M. and Krylov, Anna I. and Gill, Peter M.W. and {Head-Gordon}, Martin},
	date-modified = {2022-03-23 11:53:38 +0100},
	doi = {10.1080/00268976.2014.952696},
	file = {/Users/monino/Zotero/storage/XPUBH7XK/Shao et al. - 2015 - Advances in molecular quantum chemistry contained .pdf;/Users/monino/Zotero/storage/EEKMS8FG/00268976.2014.html},
	issn = {0026-8976},
	journal = {Mol. Phys.},
	month = jan,
	number = {2},
	pages = {184--215},
	publisher = {{Taylor \& Francis}},
	title = {Advances in Molecular Quantum Chemistry Contained in the {{Q-Chem}} 4 Program Package},
	volume = {113},
	year = {2015},
	bdsk-url-1 = {https://doi.org/10.1080/00268976.2014.952696}}

@article{Sharma_2017,
	author = {Sharma, Sandeep and Holmes, Adam A. and Jeanmairet, Guillaume and Alavi, Ali and Umrigar, C. J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/acs.jctc.6b01028},
	issn = {1549-9626},
	journal = {J. Chem. Theory Comput.},
	pages = {1595--1604},
	publisher = {{American Chemical Society (ACS)}},
	title = {Semistochastic Heat-Bath Configuration Interaction Method: {{Selected}} Configuration Interaction with Semistochastic Perturbation Theory},
	volume = {13},
	year = {2017},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.6b01028}}

@book{Shavitt_2009,
	address = {{Cambridge}},
	author = {Shavitt, Isaiah and Bartlett, Rodney J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1017/CBO9780511596834},
	isbn = {978-0-521-81832-2},
	publisher = {{Cambridge University Press}},
	series = {Cambridge {{Molecular Science}}},
	title = {Many-{{Body Methods}} in {{Chemistry}} and {{Physics}}: {{MBPT}} and {{Coupled-Cluster Theory}}},
	year = {2009},
	bdsk-url-1 = {https://doi.org/10.1017/CBO9780511596834}}

@article{Shen_2012,
	author = {Shen, Jun and Piecuch, Piotr},
	date-modified = {2022-03-23 11:53:40 +0100},
	doi = {10.1063/1.3700802},
	file = {/Users/monino/Zotero/storage/6VK9PYQ7/Shen et Piecuch - 2012 - Combining active-space coupled-cluster methods wit.pdf},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = apr,
	number = {14},
	pages = {144104},
	publisher = {{American Institute of Physics}},
	title = {Combining Active-Space Coupled-Cluster Methods with Moment Energy Corrections via the {{CC}}({{P}};{{Q}}) Methodology, with Benchmark Calculations for Biradical Transition States},
	volume = {136},
	year = {2012},
	bdsk-url-1 = {https://doi.org/10.1063/1.3700802}}

@article{Shih_1978,
	author = {Shih, Sk and {Butscher, W ans Buenker}, Rj and Peyerimhoff, Sd},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1016/0301-0104(78)85076-9},
	journal = {Chem. Phys.},
	number = {1-2},
	pages = {241--252},
	title = {Calculation of Vertical Electronic-Spectrum of Nitrogen Molecule Using {{MRD-CI}} Method},
	volume = {29},
	year = {1978},
	bdsk-url-1 = {https://doi.org/10.1016/0301-0104(78)85076-9}}

@article{Shu_2017,
	author = {Shu, Yinan and Truhlar, Donald G.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/jacs.7b06283},
	issn = {0002-7863, 1520-5126},
	journal = {J. Am. Chem. Soc.},
	langid = {english},
	month = oct,
	number = {39},
	pages = {13770--13778},
	title = {Doubly {{Excited Character}} or {{Static Correlation}} of the {{Reference State}} in the {{Controversial}} 2 {$^1$} {{A}} {\textsubscript{g}} {{State}} of {\emph{Trans}} -{{Butadiene}}?},
	volume = {139},
	year = {2017},
	bdsk-url-1 = {https://doi.org/10.1021/jacs.7b06283}}

@article{Silva-Junior_2010a,
	author = {{Silva-Junior}, M. R. and Schreiber, M. and Sauer, S. P. A. and Thiel, W.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.2973541},
	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},
	bdsk-url-1 = {https://doi.org/10.1063/1.2973541}}

@article{Silva-Junior_2010b,
	author = {{Silva-Junior}, M. R. and Sauer, S. P. A. and Schreiber, M. and Thiel, W.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1080/00268970903549047},
	journal = {Mol. Phys.},
	pages = {453--465},
	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{Silva-Junior_2010c,
	author = {{Silva-Junior}, M. R. and Schreiber, M. and Sauer, S. P. A. and Thiel, W.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.3499598},
	journal = {J. Chem. Phys.},
	pages = {174318},
	title = {Benchmarks of Electronically Excited States: {{Basis}} Set Effecs on {{CASPT2}} Results},
	volume = {133},
	year = {2010},
	bdsk-url-1 = {https://doi.org/10.1063/1.3499598}}

@article{Sneskov_2012,
	author = {Sneskov, Kristian and Christiansen, Ove},
	date-added = {2022-03-21 21:51:51 +0100},
	date-modified = {2022-03-21 21:58:49 +0100},
	doi = {10.1002/wcms.99},
	journal = {WIREs Comput. Mol. Sci.},
	pages = {566--584},
	title = {Excited State Coupled Cluster Methods},
	volume = {2},
	year = {2012},
	bdsk-url-1 = {https://doi.org/10.1002/wcms.99},
	bdsk-url-2 = {https://doi.org/10.1002/wcms.99}}

@article{Stanton_1993,
	author = {Stanton, John F. and Bartlett, Rodney J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.464746},
	journal = {J. Chem. Phys.},
	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},
	volume = {98},
	year = {1993},
	bdsk-url-1 = {https://doi.org/10.1063/1.464746}}

@article{Stoneburner_2017,
	author = {Stoneburner, Samuel J. and Shen, Jun and Ajala, Adeayo O. and Piecuch, Piotr and Truhlar, Donald G. and Gagliardi, Laura},
	date-modified = {2022-03-23 11:53:44 +0100},
	doi = {10.1063/1.4998256},
	file = {/Users/monino/Zotero/storage/59VEQ8FL/Stoneburner et al. - 2017 - Systematic design of active spaces for multi-refer.pdf},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = oct,
	number = {16},
	pages = {164120},
	publisher = {{American Institute of Physics}},
	title = {Systematic Design of Active Spaces for Multi-Reference Calculations of {{Singlet}}\textendash{{Triplet}} Gaps of Organic Diradicals, with Benchmarks against Doubly Electron-Attached Coupled-Cluster Data},
	volume = {147},
	year = {2017},
	bdsk-url-1 = {https://doi.org/10.1063/1.4998256}}

@article{Suaud_2017,
	author = {Suaud, Nicolas and Malrieu, Jean-Paul},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1080/00268976.2017.1303207},
	issn = {0026-8976},
	journal = {Mol. Phys.},
	month = nov,
	number = {21-22},
	pages = {2684--2695},
	publisher = {{Taylor \& Francis}},
	title = {Natural Molecular Orbitals: Limits of a {{Lowdin}}'s Conjecture},
	volume = {115},
	year = {2017},
	bdsk-url-1 = {https://doi.org/10.1080/00268976.2017.1303207}}

@article{Sun_2017,
	author = {Sun, Qiming and Yang, Jun and Chan, Garnet Kin-Lic},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1016/j.cplett.2017.03.004},
	journal = {Chem. Phys. Lett.},
	pages = {291--299},
	title = {A General Second Order Complete Active Space Self-Consistent-Field Solver for Large-Scale Systems},
	volume = {683},
	year = {2017},
	bdsk-url-1 = {https://doi.org/10.1016/j.cplett.2017.03.004},
	bdsk-url-2 = {https://doi.org/10.1016/j.cplett.2017.03.004}}

@article{Sundstrom_2014,
	author = {Sundstrom, Eric J. and {Head-Gordon}, Martin},
	date-added = {2022-03-23 11:18:58 +0100},
	date-modified = {2022-03-23 11:18:58 +0100},
	doi = {10.1063/1.4868120},
	issn = {0021-9606, 1089-7690},
	journal = {J. Chem. Phys.},
	langid = {english},
	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{Szabo_1996,
	address = {{Mineola, N.Y}},
	author = {Szabo, Attila and Ostlund, Neil S.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	isbn = {978-0-486-69186-2},
	lccn = {QD462 .S95 1996},
	publisher = {{Dover Publications}},
	title = {Modern Quantum Chemistry: {{Introduction}} to Advanced Electronic Structure Theory},
	year = {1996}}

@article{Tozer_2000,
	author = {Tozer, David J. and Handy, Nicholas C.},
	date-added = {2022-03-23 10:47:18 +0100},
	date-modified = {2022-03-23 10:47:18 +0100},
	doi = {10.1039/a910321j},
	issn = {14639076, 14639084},
	journal = {Phys. Chem. Chem. Phys.},
	langid = {english},
	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{Trofimov_1997,
	author = {Trofimov, A. B. and Schirmer, J.},
	date-modified = {2022-03-23 11:53:49 +0100},
	doi = {10.1016/S0301-0104(96)00303-5},
	file = {/Users/monino/Zotero/storage/32BM4TYM/Trofimov et Schirmer - 1997 - Polarization propagator study of electronic excita.pdf;/Users/monino/Zotero/storage/YCGJHMZ3/S0301010496003035.html},
	issn = {0301-0104},
	journal = {Chem. Phys.},
	langid = {english},
	month = jan,
	number = {2},
	pages = {153--170},
	title = {Polarization Propagator Study of Electronic Excitation in Key Heterocyclic Molecules {{I}}. {{Pyrrole}}},
	volume = {214},
	year = {1997},
	bdsk-url-1 = {https://doi.org/10.1016/S0301-0104(96)00303-5}}

@article{Trofimov_2002,
	author = {Trofimov, A. B. and Stelter, G. and Schirmer, J.},
	date-modified = {2022-03-23 11:53:51 +0100},
	doi = {10.1063/1.1504708},
	file = {/Users/monino/Zotero/storage/836QTTRI/Trofimov et al. - 2002 - Electron excitation energies using a consistent th.pdf},
	issn = {0021-9606},
	journal = {J. Chem. Phys.},
	month = oct,
	number = {14},
	pages = {6402--6410},
	publisher = {{American Institute of Physics}},
	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://doi.org/10.1063/1.1504708}}

@article{Tubman_2016,
	author = {Tubman, Norm M. and Lee, Joonho and Takeshita, Tyler Y. and {Head-Gordon}, Martin and Whaley, K. Birgitta},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.4955109},
	issn = {0021-9606, 1089-7690},
	journal = {J. Chem. Phys.},
	langid = {english},
	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 = {Tubman, Norm M. and Levine, Daniel S. and Hait, Diptarka and {Head-Gordon}, Martin and Whaley, K. Birgitta},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	eprint = {1808.02049},
	eprinttype = {arxiv},
	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 = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	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{Urban_1985,
	author = {Urban, Miroslav and Noga, Jozef and Cole, Samuel J. and Bartlett, Rodney J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.449067},
	journal = {J. Chem. Phys.},
	number = {8},
	pages = {4041--4046},
	title = {Towards a Full {{CCSDT}} Model for Electron Correlation},
	volume = {83},
	year = {1985},
	bdsk-url-1 = {https://doi.org/10.1063/1.449067}}

@article{Varras_2018,
	author = {Varras, Panayiotis C. and Gritzapis, Panagiotis S.},
	date-modified = {2022-03-23 11:53:54 +0100},
	doi = {10.1016/j.cplett.2018.09.028},
	file = {/Users/monino/Zotero/storage/W6T859TK/S0009261418307590.html},
	issn = {0009-2614},
	journal = {Chem. Phys. Lett.},
	langid = {english},
	month = nov,
	pages = {166--172},
	shorttitle = {The Transition State of the Automerization Reaction of Cyclobutadiene},
	title = {The Transition State of the Automerization Reaction of Cyclobutadiene: {{A}} Theoretical Approach Using the {{Restricted Active Space Self Consistent Field}} Method},
	volume = {711},
	year = {2018},
	bdsk-url-1 = {https://doi.org/10.1016/j.cplett.2018.09.028}}

@article{Veril_2021,
	author = {V{\'e}ril, Micka{\"e}l and Scemama, Anthony and Caffarel, Michel and Lipparini, Filippo and {Boggio-Pasqua}, Martial and Jacquemin, Denis and Loos, Pierre-Fran{\c c}ois},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1002/wcms.1517},
	journal = {WIREs Comput. Mol. Sci.},
	number = {n/a},
	pages = {e1517},
	title = {{{QUESTDB}}: {{A}} Database of Highly Accurate Excitation Energies for the Electronic Structure Community},
	volume = {n/a},
	bdsk-url-1 = {https://doi.org/10.1002/wcms.1517},
	bdsk-url-2 = {https://doi.org/10.1002/wcms.1517}}

@article{Vitale_2020,
	author = {Vitale, Eugenio and Alavi, Ali and Kats, Daniel},
	date-modified = {2022-03-23 11:53:57 +0100},
	doi = {10.1021/acs.jctc.0c00470},
	file = {/Users/monino/Zotero/storage/3SHN79EZ/Vitale et al. - 2020 - FCIQMC-Tailored Distinguishable Cluster Approach.pdf;/Users/monino/Zotero/storage/TVI587ER/acs.jctc.html},
	issn = {1549-9618},
	journal = {J. Chem. Theory Comput.},
	month = sep,
	number = {9},
	pages = {5621--5634},
	publisher = {{American Chemical Society}},
	title = {{{FCIQMC-Tailored Distinguishable Cluster Approach}}},
	volume = {16},
	year = {2020},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.0c00470}}

@article{Watson_2012,
	author = {Watson, Mark A. and Chan, Garnet Kin-Lic},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +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 = {https://doi.org/10.1021/ct300591z}}

@article{Weintraub_2009a,
	author = {Weintraub, Elon and Henderson, Thomas M. and Scuseria, Gustavo E.},
	date-modified = {2022-03-23 11:54:00 +0100},
	doi = {10.1021/ct800530u},
	file = {/Users/monino/Zotero/storage/GZ242R45/Weintraub et al. - 2009 - Long-Range-Corrected Hybrids Based on a New Model .pdf;/Users/monino/Zotero/storage/QJFMGPF3/ct800530u.html},
	issn = {1549-9618},
	journal = {J. Chem. Theory Comput.},
	month = apr,
	number = {4},
	pages = {754--762},
	publisher = {{American Chemical Society}},
	title = {Long-{{Range-Corrected Hybrids Based}} on a {{New Model Exchange Hole}}},
	volume = {5},
	year = {2009},
	bdsk-url-1 = {https://doi.org/10.1021/ct800530u}}

@article{Werner_1980,
	author = {Werner, Hans-Joachim and Meyer, Wilfried},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.440384},
	journal = {J. Chem. Phys.},
	number = {5},
	pages = {2342--2356},
	title = {A Quadratically Convergent Multiconfiguration\textendash Self-consistent Field Method with Simultaneous Optimization of Orbitals and {{CI}} Coefficients},
	volume = {73},
	year = {1980},
	bdsk-url-1 = {https://doi.org/10.1063/1.440384}}

@article{Werner_1985,
	author = {Werner, Hans-Joachim and Knowles, Peter J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.448627},
	journal = {J. Chem. Phys.},
	number = {11},
	pages = {5053--5063},
	title = {A Second Order Multiconfiguration {{SCF}} Procedure with Optimum Convergence},
	volume = {82},
	year = {1985},
	bdsk-url-1 = {https://doi.org/10.1063/1.448627}}

@article{Werner_2012,
	author = {Werner, Hans-Joachim and Knowles, Peter J. and Knizia, Gerald and Manby, Frederick R. and Sch{\"u}tz, Martin},
	date-modified = {2022-03-23 11:54:03 +0100},
	doi = {10.1002/wcms.82},
	file = {/Users/monino/Zotero/storage/EGXFYSIC/Werner et al. - 2012 - Molpro a general-purpose quantum chemistry progra.pdf;/Users/monino/Zotero/storage/UHRUSMN8/wcms.html},
	issn = {1759-0884},
	journal = {WIREs Comput. Mol. Sci.},
	langid = {english},
	number = {2},
	pages = {242--253},
	shorttitle = {Molpro},
	title = {Molpro: {{A}} General-Purpose Quantum Chemistry Program Package},
	volume = {2},
	year = {2012},
	bdsk-url-1 = {https://doi.org/10.1002/wcms.82}}

@article{Werner_2020,
	author = {Werner, Hans-Joachim and Knowles, Peter J. and Manby, Frederick R. and Black, Joshua A. and Doll, Klaus and He{\ss}elmann, Andreas and Kats, Daniel and K{\"o}hn, Andreas and Korona, Tatiana and Kreplin, David A. and Ma, Qianli and Miller, Thomas F. and Mitrushchenkov, Alexander and Peterson, Kirk A. and Polyak, Iakov and Rauhut, Guntram and Sibaev, Marat},
	date-added = {2022-03-23 22:21:43 +0100},
	date-modified = {2022-03-23 22:21:43 +0100},
	doi = {10.1063/5.0005081},
	journal = {J. Chem. Phys.},
	number = {14},
	pages = {144107},
	title = {The {{Molpro}} Quantum Chemistry Package},
	volume = {152},
	year = {2020},
	bdsk-url-1 = {https://doi.org/10.1063/5.0005081}}

@article{White_1992,
	author = {White, S. R.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1103/PhysRevLett.69.2863},
	journal = {Phys. Rev. Lett.},
	pages = {2863},
	title = {Density Matrix Formulation for Quantum Renormalization Groups},
	volume = {69},
	year = {1992},
	bdsk-url-1 = {https://doi.org/10.1103/PhysRevLett.69.2863}}

@article{White_1993,
	author = {White, S. R.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1103/PhysRevB.48.10345},
	journal = {Phys. Rev. B},
	pages = {10345},
	title = {Density-Matrix Algorithms for Quantum Renormalization Groups},
	volume = {48},
	year = {1993},
	bdsk-url-1 = {https://doi.org/10.1103/PhysRevB.48.10345}}

@article{Whitman_1982,
	author = {Whitman, David W. and Carpenter, Barry K.},
	date-modified = {2022-03-23 11:54:06 +0100},
	doi = {10.1021/ja00387a065},
	file = {/Users/monino/Zotero/storage/VIBC7IN3/Whitman et Carpenter - 1982 - Limits on the activation parameters for automeriza.pdf;/Users/monino/Zotero/storage/G5GLPK22/ja00387a065.html},
	issn = {0002-7863},
	journal = {J. Am. Chem. Soc.},
	month = nov,
	number = {23},
	pages = {6473--6474},
	publisher = {{American Chemical Society}},
	title = {Limits on the Activation Parameters for Automerization of {{Cyclobutadiene-1}},2-{{D2}}},
	volume = {104},
	year = {1982},
	bdsk-url-1 = {https://doi.org/10.1021/ja00387a065}}

@article{Whitten_1969,
	author = {Whitten, J. L. and Hackmeyer, Melvyn},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.1671985},
	issn = {1089-7690},
	journal = {J. Chem. Phys.},
	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},
	volume = {51},
	year = {1969},
	bdsk-url-1 = {https://doi.org/10.1063/1.1671985}}

@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 = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	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{Xu_2015,
	author = {Xu, Enhua and Zhao, Dongbo and Li, Shuhua},
	date-modified = {2022-03-23 11:54:09 +0100},
	doi = {10.1021/acs.jctc.5b00495},
	file = {/Users/monino/Zotero/storage/DJNQ7VLR/Xu et al. - 2015 - Multireference Second Order Perturbation Theory wi.pdf;/Users/monino/Zotero/storage/QBDFQAIR/acs.jctc.html},
	issn = {1549-9618},
	journal = {J. Chem. Theory Comput.},
	month = oct,
	number = {10},
	pages = {4634--4643},
	publisher = {{American Chemical Society}},
	title = {Multireference {{Second Order Perturbation Theory}} with a {{Simplified Treatment}} of {{Dynamical Correlation}}},
	volume = {11},
	year = {2015},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.5b00495}}

@article{Xu_2018,
	author = {Xu, E. and Uejima, M. and {Ten-no}, S. L.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +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}}

@article{Xu_2020,
	author = {Xu, Enhua and Uejima, Motoyuki and {Ten-no}, Seiichiro L.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/acs.jpclett.0c03084},
	journal = {J. Phys. Chem. Lett.},
	number = {22},
	pages = {9775--9780},
	title = {Towards Near-Exact Solutions of Molecular Electronic Structure: {{Full}} Coupled-Cluster Reduction with a Second-Order Perturbative Correction},
	volume = {11},
	year = {2020},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jpclett.0c03084}}

@article{Yanai_2004a,
	author = {Yanai, Takeshi and Tew, David P and Handy, Nicholas C},
	date-modified = {2022-03-23 11:54:12 +0100},
	doi = {10.1016/j.cplett.2004.06.011},
	file = {/Users/monino/Zotero/storage/JNC6BKXV/S0009261404008620.html},
	issn = {0009-2614},
	journal = {Chem. Phys. Lett.},
	langid = {english},
	month = jul,
	number = {1},
	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{Yao_2020,
	author = {Yao, Yuan and Giner, Emmanuel and Li, Junhao and Toulouse, Julien and Umrigar, C. J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/5.0018577},
	journal = {J. Chem. Phys.},
	number = {12},
	pages = {124117},
	title = {Almost Exact Energies for the {{Gaussian-2}} Set with the Semistochastic Heat-Bath Configuration Interaction Method},
	volume = {153},
	year = {2020},
	bdsk-url-1 = {https://doi.org/10.1063/5.0018577}}

@article{Yao_2021,
	author = {Yao, Yuan and Umrigar, C. J.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1021/acs.jctc.1c00385},
	journal = {J. Chem. Theory Comput.},
	number = {0},
	pages = {null},
	title = {Orbital Optimization in Selected Configuration Interaction Methods},
	volume = {0},
	year = {0},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.1c00385}}

@article{Zhang_2015,
	author = {Zhang, Xing and Herbert, John M.},
	date-added = {2022-03-23 11:49:35 +0100},
	date-modified = {2022-03-23 11:49:35 +0100},
	doi = {10.1063/1.4907376},
	issn = {0021-9606, 1089-7690},
	journal = {J. Chem. Phys.},
	langid = {english},
	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{Zhang_2019,
	author = {Zhang, Tianyuan and Li, Chenyang and Evangelista, Francesco A.},
	doi = {10.1021/acs.jctc.9b00353},
	issn = {1549-9618},
	journal = {J. Chem. Theory Comput.},
	month = aug,
	number = {8},
	pages = {4399--4414},
	publisher = {{American Chemical Society}},
	title = {Improving the {{Efficiency}} of the {{Multireference Driven Similarity Renormalization Group}} via {{Sequential Transformation}}, {{Density Fitting}}, and the {{Noninteracting Virtual Orbital Approximation}}},
	volume = {15},
	year = {2019},
	bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.9b00353}}

@article{Zhang_2020,
	author = {Zhang, Ning and Liu, Wenjian and Hoffmann, Mark R.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +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{Zhao_2008,
	author = {Zhao, Yan and Truhlar, Donald G.},
	date-modified = {2022-03-23 11:54:16 +0100},
	doi = {10.1007/s00214-007-0310-x},
	file = {/Users/monino/Zotero/storage/DST4SA5P/Zhao et Truhlar - 2008 - The M06 suite of density functionals for main grou.pdf},
	issn = {1432-2234},
	journal = {Theor Chem Acc.},
	langid = {english},
	month = may,
	number = {1},
	pages = {215--241},
	shorttitle = {The {{M06}} Suite of Density Functionals for Main Group Thermochemistry, Thermochemical Kinetics, Noncovalent Interactions, Excited States, and Transition Elements},
	title = {The {{M06}} Suite of Density Functionals for Main Group Thermochemistry, Thermochemical Kinetics, Noncovalent Interactions, Excited States, and Transition Elements: {{Two}} New Functionals and Systematic Testing of Four {{M06-class}} Functionals and 12 Other Functionals},
	volume = {120},
	year = {2008},
	bdsk-url-1 = {https://doi.org/10.1007/s00214-007-0310-x}}

@article{Zheng_2017,
	author = {Zheng, Bo-Xiao and Chung, Chia-Min and Corboz, Philippe and Ehlers, Georg and Qin, Ming-Pu and Noack, Reinhard M and Shi, Hao and White, Steven R and Zhang, Shiwei and Chan, Garnet Kin-Lic},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	journal = {Science},
	number = {6367},
	pages = {1155--1160},
	publisher = {{American Association for the Advancement of Science}},
	title = {Stripe Order in the Underdoped Region of the Two-Dimensional {{Hubbard}} Model},
	volume = {358},
	year = {2017}}

@article{Zimmerman_2017,
	author = {Zimmerman, Paul M.},
	date-added = {2022-03-23 11:33:09 +0100},
	date-modified = {2022-03-23 11:33:09 +0100},
	doi = {10.1063/1.4977727},
	issn = {1089-7690},
	journal = {J. Chem. Phys.},
	pages = {104102},
	publisher = {{AIP Publishing}},
	title = {Incremental Full Configuration Interaction},
	volume = {146},
	year = {2017},
	bdsk-url-1 = {https://doi.org/10.1063/1.4977727}}

@article{Zobel_2017,
	author = {Zobel, J. Patrick and Nogueira, Juan J. and Gonzalez, Leticia},
	date-added = {2022-03-24 21:59:07 +0100},
	date-modified = {2022-03-24 21:59:07 +0100},
	doi = {10.1039/C6SC03759C},
	journal = {Chem. Sci.},
	number = {2},
	pages = {1482--1499},
	publisher = {{The Royal Society of Chemistry}},
	title = {The {{IPEA}} Dilemma in {{CASPT2}}},
	volume = {8},
	year = {2017},
	bdsk-url-1 = {https://doi.org/10.1039/C6SC03759C}}

@article{Zobel_2021,
	author = {Zobel, J. Patrick and Gonz{\'a}lez, Leticia},
	date-added = {2022-03-21 21:56:03 +0100},
	date-modified = {2022-03-21 21:56:16 +0100},
	doi = {10.1021/jacsau.1c00252},
	journal = {JACS Au},
	number = {8},
	pages = {1116--1140},
	title = {The Quest to Simulate Excited-State Dynamics of Transition Metal Complexes},
	volume = {1},
	year = {2021},
	bdsk-url-1 = {https://doi.org/10.1021/jacsau.1c00252}}
