Merge branch 'master' of github.com:pfloos/EPAWTFT
Conflicts: Manuscript/EPAWTFT.tex
This commit is contained in:
Hugh Burton
commit
675e2c6fa2
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%Control: page (0) single
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\begin{thebibliography}{133}%
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\begin{thebibliography}{148}%
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\makeatletter
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\@ifx{#1\undefined}
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@ -50,6 +50,154 @@
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\providecommand \BibitemShut [1]{\csname bibitem#1\endcsname}%
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||||
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|
||||
%</preamble>
|
||||
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|
||||
{Ostlund}(1989)}]{SzaboBook}%
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||||
\BibitemOpen
|
||||
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|
||||
{Szabo}}\ and\ \bibinfo {author} {\bibfnamefont {N.~S.}\ \bibnamefont
|
||||
{Ostlund}},\ }\href@noop {} {\emph {\bibinfo {title} {Modern quantum
|
||||
chemistry: {Introduction} to advanced electronic structure}}}\ (\bibinfo
|
||||
{publisher} {McGraw-Hill},\ \bibinfo {year} {1989})\BibitemShut {NoStop}%
|
||||
\bibitem [{\citenamefont {Jensen}(2017)}]{JensenBook}%
|
||||
\BibitemOpen
|
||||
\bibfield {author} {\bibinfo {author} {\bibfnamefont {F.}~\bibnamefont
|
||||
{Jensen}},\ }\href@noop {} {\emph {\bibinfo {title} {Introduction to
|
||||
Computational Chemistry}}},\ \bibinfo {edition} {3rd}\ ed.\ (\bibinfo
|
||||
{publisher} {Wiley},\ \bibinfo {address} {New York},\ \bibinfo {year}
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||||
{2017})\BibitemShut {NoStop}%
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||||
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\BibitemOpen
|
||||
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||||
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|
||||
Computational Chemistry: Theories and Models}}}\ (\bibinfo {publisher}
|
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{Wiley},\ \bibinfo {year} {2004})\BibitemShut {NoStop}%
|
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\bibitem [{\citenamefont {Helgaker}\ \emph {et~al.}(2013)\citenamefont
|
||||
{Helgaker}, \citenamefont {J{\o}rgensen},\ and\ \citenamefont
|
||||
{Olsen}}]{HelgakerBook}%
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||||
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||||
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|
||||
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|
||||
{J{\o}rgensen}}, \ and\ \bibinfo {author} {\bibfnamefont {J.}~\bibnamefont
|
||||
{Olsen}},\ }\href@noop {} {\emph {\bibinfo {title} {Molecular
|
||||
Electronic-Structure Theory}}}\ (\bibinfo {publisher} {John Wiley \& Sons,
|
||||
Inc.},\ \bibinfo {year} {2013})\BibitemShut {NoStop}%
|
||||
\bibitem [{\citenamefont {Parr}\ and\ \citenamefont {Yang}(1989)}]{ParrBook}%
|
||||
\BibitemOpen
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||||
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|
||||
{Parr}}\ and\ \bibinfo {author} {\bibfnamefont {W.}~\bibnamefont {Yang}},\
|
||||
}\href@noop {} {\emph {\bibinfo {title} {Density-Functional Theory of Atoms
|
||||
and Molecules}}}\ (\bibinfo {publisher} {Oxford},\ \bibinfo {address}
|
||||
{Clarendon Press},\ \bibinfo {year} {1989})\BibitemShut {NoStop}%
|
||||
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|
||||
{Waleck}(1971)}]{FetterBook}%
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||||
\BibitemOpen
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||||
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|
||||
{Fetter}}\ and\ \bibinfo {author} {\bibfnamefont {J.~D.}\ \bibnamefont
|
||||
{Waleck}},\ }\href@noop {} {\emph {\bibinfo {title} {Quantum Theory of Many
|
||||
Particle Systems}}}\ (\bibinfo {publisher} {McGraw Hill, San Francisco},\
|
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\bibinfo {year} {1971})\BibitemShut {NoStop}%
|
||||
\bibitem [{\citenamefont {Martin}\ \emph {et~al.}(2016)\citenamefont {Martin},
|
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\citenamefont {Reining},\ and\ \citenamefont {Ceperley}}]{ReiningBook}%
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||||
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||||
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|
||||
and\ \bibinfo {author} {\bibfnamefont {D.}~\bibnamefont {Ceperley}},\
|
||||
}\href@noop {} {\emph {\bibinfo {title} {Interacting Electrons: Theory and
|
||||
Computational Approaches}}}\ (\bibinfo {publisher} {Cambridge University
|
||||
Press},\ \bibinfo {year} {2016})\BibitemShut {NoStop}%
|
||||
\bibitem [{\citenamefont {Piecuch}\ \emph {et~al.}(2002)\citenamefont
|
||||
{Piecuch}, \citenamefont {Kowalski}, \citenamefont {Pimienta},\ and\
|
||||
\citenamefont {Mcguire}}]{Piecuch_2002}%
|
||||
\BibitemOpen
|
||||
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|
||||
{Piecuch}}, \bibinfo {author} {\bibfnamefont {K.}~\bibnamefont {Kowalski}},
|
||||
\bibinfo {author} {\bibfnamefont {I.~S.~O.}\ \bibnamefont {Pimienta}}, \ and\
|
||||
\bibinfo {author} {\bibfnamefont {M.~J.}\ \bibnamefont {Mcguire}},\ }\href
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||||
{\doibase 10.1080/0144235021000053811} {\bibfield {journal} {\bibinfo
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||||
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|
||||
\bibinfo {pages} {527} (\bibinfo {year} {2002})}\BibitemShut {NoStop}%
|
||||
\bibitem [{\citenamefont {Dreuw}\ and\ \citenamefont
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{Head-Gordon}(2005)}]{Dreuw_2005}%
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||||
\BibitemOpen
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||||
\bibfield {author} {\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont
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{Dreuw}}\ and\ \bibinfo {author} {\bibfnamefont {M.}~\bibnamefont
|
||||
{Head-Gordon}},\ }\href {\doibase 10.1021/cr0505627} {\bibfield {journal}
|
||||
{\bibinfo {journal} {Chem. Rev.}\ }\textbf {\bibinfo {volume} {105}},\
|
||||
\bibinfo {pages} {4009} (\bibinfo {year} {2005})}\BibitemShut {NoStop}%
|
||||
\bibitem [{\citenamefont {Krylov}(2006)}]{Krylov_2006}%
|
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\BibitemOpen
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||||
{Krylov}},\ }\href {\doibase 10.1021/ar0402006} {\bibfield {journal}
|
||||
{\bibinfo {journal} {Acc. Chem. Res.}\ }\textbf {\bibinfo {volume} {39}},\
|
||||
\bibinfo {pages} {83} (\bibinfo {year} {2006})}\BibitemShut {NoStop}%
|
||||
\bibitem [{\citenamefont {Sneskov}\ and\ \citenamefont
|
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{Christiansen}(2012)}]{Sneskov_2012}%
|
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {K.}~\bibnamefont
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{NoStop}%
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(\bibinfo {year} {2018})}\BibitemShut {NoStop}%
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\bibinfo {author} {\bibfnamefont {D.}~\bibnamefont {Jacquemin}}, \ and\
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\bibinfo {pages} {7371} (\bibinfo {year} {2020})}\BibitemShut {NoStop}%
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\bibinfo {pages} {2374} (\bibinfo {year} {2020})}\BibitemShut {NoStop}%
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@ -545,14 +693,6 @@
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|
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\bibitem [{\citenamefont {Szabo}\ and\ \citenamefont
|
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{Ostlund}(1989)}]{SzaboBook}%
|
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\BibitemOpen
|
||||
\bibfield {author} {\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont
|
||||
{Szabo}}\ and\ \bibinfo {author} {\bibfnamefont {N.~S.}\ \bibnamefont
|
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{Ostlund}},\ }\href@noop {} {\emph {\bibinfo {title} {Modern quantum
|
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chemistry: {Introduction} to advanced electronic structure}}}\ (\bibinfo
|
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{publisher} {McGraw-Hill},\ \bibinfo {year} {1989})\BibitemShut {NoStop}%
|
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\bibitem [{\citenamefont {Mayer}\ and\ \citenamefont
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{L{\"o}wdin}(1993)}]{Mayer_1993}%
|
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\BibitemOpen
|
||||
@ -992,15 +1132,6 @@
|
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10.1021/acs.jctc.8b00406} {\bibfield {journal} {\bibinfo {journal} {J.
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Chem. Theory Comput.}\ }\textbf {\bibinfo {volume} {14}},\ \bibinfo {pages}
|
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{4360} (\bibinfo {year} {2018})}\BibitemShut {NoStop}%
|
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\bibitem [{\citenamefont {Loos}\ \emph {et~al.}(2020)\citenamefont {Loos},
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\citenamefont {Scemama},\ and\ \citenamefont {Jacquemin}}]{Loos_2020a}%
|
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{\doibase 10.1021/acs.jpclett.0c00014} {\bibfield {journal} {\bibinfo
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\bibinfo {pages} {2374} (\bibinfo {year} {2020})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Paw{\l}owski}\ \emph
|
||||
{et~al.}(2019{\natexlab{a}})\citenamefont {Paw{\l}owski}, \citenamefont
|
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{Olsen},\ and\ \citenamefont {J{\o}rgensen}}]{Pawlowski_2019a}%
|
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|
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@ -1,13 +1,244 @@
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%% Created for Pierre-Francois Loos at 2020-12-01 13:28:00 +0100
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@article{Blase_2018,
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author = {Blase, Xavier and Duchemin, Ivan and Jacquemin, Denis},
|
||||
date-added = {2020-12-01 21:12:31 +0100},
|
||||
date-modified = {2020-12-01 21:12:31 +0100},
|
||||
doi = {10.1039/C7CS00049A},
|
||||
journal = {Chem. Soc. Rev.},
|
||||
pages = {1022-1043},
|
||||
publisher = {The Royal Society of Chemistry},
|
||||
title = {The Bethe--Salpeter equation in chemistry: relations with TD-DFT{,} applications and challenges},
|
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volume = {47},
|
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year = {2018},
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Bdsk-Url-1 = {http://dx.doi.org/10.1039/C7CS00049A}}
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@article{Blase_2020,
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author = {X. Blase and I. Duchemin and D. Jacquemin and P. F. Loos},
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date-added = {2020-12-01 21:12:31 +0100},
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date-modified = {2020-12-01 21:12:31 +0100},
|
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doi = {10.1021/acs.jpclett.0c01875},
|
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journal = {J. Phys. Chem. Lett.},
|
||||
pages = {7371},
|
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title = {The Bethe-Salpeter Formalism: From Physics to Chemistry},
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volume = {11},
|
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year = {2020},
|
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Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.0c01875}}
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@article{Ghosh_2018,
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author = {Ghosh, Soumen and Verma, Pragya and Cramer, Christopher J. and Gagliardi, Laura and Truhlar, Donald G.},
|
||||
date-added = {2020-12-01 21:12:15 +0100},
|
||||
date-modified = {2020-12-01 21:12:15 +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}}
|
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|
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@article{Adamo_2013,
|
||||
author = {Adamo, C. and Jacquemin, D.},
|
||||
date-added = {2020-12-01 21:11:58 +0100},
|
||||
date-modified = {2020-12-01 21:15:50 +0100},
|
||||
doi = {10.1039/C2CS35394F},
|
||||
journal = {Chem. Soc. Rev.},
|
||||
pages = {845--856},
|
||||
title = {The Calculations of Excited-State Properties with Time-Dependent Density Functional Theory},
|
||||
volume = {42},
|
||||
year = {2013}}
|
||||
|
||||
@article{Laurent_2013,
|
||||
author = {Laurent, Ad{\`e}le D. and Jacquemin, Denis},
|
||||
date-added = {2020-12-01 21:11:49 +0100},
|
||||
date-modified = {2020-12-01 21:15:13 +0100},
|
||||
doi = {10.1002/qua.24438},
|
||||
journal = {Int. J. Quantum Chem.},
|
||||
pages = {2019--2039},
|
||||
title = {TD-DFT Benchmarks: A Review},
|
||||
volume = {113},
|
||||
year = {2013}}
|
||||
|
||||
@article{Gonzales_2012,
|
||||
author = {Gonz{\'a}lez, Leticia and Escudero, D. and Serrano-Andr\`es, L.},
|
||||
date-added = {2020-12-01 21:11:38 +0100},
|
||||
date-modified = {2020-12-01 21:11:38 +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{Sneskov_2012,
|
||||
abstract = {Abstract We review coupled cluster (CC) theory for electronically excited states. We outline the basics of a CC response theory framework that allows the transfer of the attractive accuracy and convergence properties associated with CC methods over to the calculation of electronic excitation energies and properties. Key factors affecting the accuracy of CC excitation energy calculations are discussed as are some of the key CC models in this field. To aid both the practitioner as well as the developer of CC excited state methods, we also briefly discuss the key computational steps in a working CC response implementation. Approaches aimed at extending the application range of CC excited state methods either in terms of molecular size and phenomena or in terms of environment (solution and proteins) are also discussed. {\copyright} 2011 John Wiley \& Sons, Ltd. This article is categorized under: Electronic Structure Theory > Ab Initio Electronic Structure Methods},
|
||||
author = {Sneskov, Kristian and Christiansen, Ove},
|
||||
date-added = {2020-12-01 21:11:24 +0100},
|
||||
date-modified = {2020-12-01 21:14:26 +0100},
|
||||
doi = {https://doi.org/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://onlinelibrary.wiley.com/doi/abs/10.1002/wcms.99},
|
||||
Bdsk-Url-2 = {https://doi.org/10.1002/wcms.99}}
|
||||
|
||||
@article{Krylov_2006,
|
||||
author = {Krylov, Anna I.},
|
||||
date-added = {2020-12-01 21:10:56 +0100},
|
||||
date-modified = {2020-12-01 21:14:02 +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}}
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||||
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||||
@article{Dreuw_2005,
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||||
author = {Dreuw, Andreas and Head-Gordon, Martin},
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||||
date-added = {2020-12-01 21:10:39 +0100},
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||||
date-modified = {2020-12-01 21:10:39 +0100},
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||||
doi = {10.1021/cr0505627},
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||||
file = {/Users/loos/Zotero/storage/WKGXAHGE/Dreuw_2005.pdf},
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||||
issn = {0009-2665, 1520-6890},
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journal = {Chem. Rev.},
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language = {en},
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||||
pages = {4009--4037},
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title = {Single-{{Reference}} Ab {{Initio Methods}} for the {{Calculation}} of {{Excited States}} of {{Large Molecules}}},
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||||
volume = {105},
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year = {2005},
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Bdsk-Url-1 = {https://dx.doi.org/10.1021/cr0505627}}
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@book{Stefanucci_2013,
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abstract = {"The Green's function method is one of the most powerful and versatile formalisms in physics, and its nonequilibrium version has proved invaluable in many research fields. This book provides a unique, self-contained introduction to nonequilibrium many-body theory. Starting with basic quantum mechanics, the authors introduce the equilibrium and nonequilibrium Green's function formalisms within a unified framework called the contour formalism. The physical content of the contour Green's functions and the diagrammatic expansions are explained with a focus on the time-dependent aspect. Every result is derived step-by-step, critically discussed and then applied to different physical systems, ranging from molecules and nanostructures to metals and insulators. With an abundance of illustrative examples, this accessible book is ideal for graduate students and researchers who are interested in excited state properties of matter and nonequilibrium physics"--},
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||||
address = {Cambridge},
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||||
author = {Stefanucci, Gianluca and van Leeuwen, Robert},
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date-added = {2020-12-01 21:06:44 +0100},
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date-modified = {2020-12-01 21:06:44 +0100},
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isbn = {978-0-521-76617-3},
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||||
keywords = {Many-body problem,Quantum theory,Green's functions,Mathematics,SCIENCE / Physics},
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||||
lccn = {QC174.17.G68 S74 2013},
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||||
publisher = {{Cambridge University Press}},
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||||
shorttitle = {Nonequilibrium Many-Body Theory of Quantum Systems},
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title = {Nonequilibrium Many-Body Theory of Quantum Systems: A Modern Introduction},
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year = {2013}}
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owner = {joshua},
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publisher = {John Wiley \& Sons, Inc.},
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||||
timestamp = {2014.11.24},
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title = {Molecular Electronic-Structure Theory},
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year = {2013}}
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||||
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author = {Feenberg, Eugene},
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@ -1584,12 +1815,6 @@
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||||
title = {Modern quantum chemistry: {Introduction} to advanced electronic structure},
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year = {1989}}
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@book{JensenBook,
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||||
author = {F. Jensen},
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||||
publisher = {Wiley},
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||||
title = {Introduction to computational chemistry},
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||||
year = {2017}}
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author = {Lepetit, M. B. and P{\'e}lissier, M. and Malrieu, J. P.},
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||||
date-modified = {2020-08-22 22:14:08 +0200},
|
||||
|
||||
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