1032 lines
62 KiB
Plaintext
1032 lines
62 KiB
Plaintext
%merlin.mbs apsrev4-1.bst 2010-07-25 4.21a (PWD, AO, DPC) hacked
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\begin{thebibliography}{99}%
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\let\auto@bib@innerbib\@empty
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%</preamble>
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\bibitem [{\citenamefont {Kutzelnigg}(1985)}]{Kut-TCA-85}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {W.}~\bibnamefont
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{Kutzelnigg}},\ }\href {\doibase 10.1007/BF00527669} {\bibfield {journal}
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{\bibinfo {journal} {Theor. Chim. Acta}\ }\textbf {\bibinfo {volume} {68}},\
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\bibinfo {pages} {445} (\bibinfo {year} {1985})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Kutzelnigg}\ and\ \citenamefont
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{Klopper}(1991)}]{KutKlo-JCP-91}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {W.}~\bibnamefont
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{Kutzelnigg}}\ and\ \bibinfo {author} {\bibfnamefont {W.}~\bibnamefont
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{Klopper}},\ }\href {\doibase 10.1063/1.459921} {\bibfield {journal}
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{\bibinfo {journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {94}},\
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\bibinfo {pages} {1985} (\bibinfo {year} {1991})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Noga}\ and\ \citenamefont
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{Kutzelnigg}(1994)}]{NogKut-JCP-94}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {J.}~\bibnamefont
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{Noga}}\ and\ \bibinfo {author} {\bibfnamefont {W.}~\bibnamefont
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{Kutzelnigg}},\ }\href {\doibase 10.1063/1.468266} {\bibfield {journal}
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{\bibinfo {journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {101}},\
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\bibinfo {pages} {7738} (\bibinfo {year} {1994})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Ten-no}(2012)}]{Ten-TCA-12}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {S.}~\bibnamefont
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{Ten-no}},\ }\href {\doibase 10.1007/s00214-011-1070-1} {\bibfield {journal}
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{\bibinfo {journal} {Theor. Chem. Acc.}\ }\textbf {\bibinfo {volume}
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{131}},\ \bibinfo {pages} {1070} (\bibinfo {year} {2012})}\BibitemShut
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{NoStop}%
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\bibitem [{\citenamefont {Ten-no}\ and\ \citenamefont
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{Noga}(2012)}]{TenNog-WIREs-12}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {S.}~\bibnamefont
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{Ten-no}}\ and\ \bibinfo {author} {\bibfnamefont {J.}~\bibnamefont {Noga}},\
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}\href {\doibase 10.1002/wcms.68} {\bibfield {journal} {\bibinfo {journal}
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{WIREs Comput. Mol. Sci.}\ }\textbf {\bibinfo {volume} {2}},\ \bibinfo
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{pages} {114} (\bibinfo {year} {2012})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Hattig}\ \emph {et~al.}(2012)\citenamefont {Hattig},
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\citenamefont {Klopper}, \citenamefont {Kohn},\ and\ \citenamefont
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{Tew}}]{HatKloKohTew-CR-12}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {C.}~\bibnamefont
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{Hattig}}, \bibinfo {author} {\bibfnamefont {W.}~\bibnamefont {Klopper}},
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\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Kohn}}, \ and\ \bibinfo
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{author} {\bibfnamefont {D.~P.}\ \bibnamefont {Tew}},\ }\href {\doibase
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10.1021/cr200168z} {\bibfield {journal} {\bibinfo {journal} {Chem. Rev.}\
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}\textbf {\bibinfo {volume} {112}},\ \bibinfo {pages} {4} (\bibinfo {year}
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{2012})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Kong}\ \emph {et~al.}(2012)\citenamefont {Kong},
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\citenamefont {Bischo},\ and\ \citenamefont {Valeev}}]{KonBisVal-CR-12}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {L.}~\bibnamefont
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{Kong}}, \bibinfo {author} {\bibfnamefont {F.~A.}\ \bibnamefont {Bischo}}, \
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and\ \bibinfo {author} {\bibfnamefont {E.~F.}\ \bibnamefont {Valeev}},\
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}\href {\doibase 10.1021/cr200204r} {\bibfield {journal} {\bibinfo
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{journal} {Chem. Rev.}\ }\textbf {\bibinfo {volume} {112}},\ \bibinfo {pages}
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{75} (\bibinfo {year} {2012})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Gr\"uneis}\ \emph {et~al.}(2017)\citenamefont
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{Gr\"uneis}, \citenamefont {Hirata}, \citenamefont {Ohnishi},\ and\
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\citenamefont {Ten-no}}]{GruHirOhnTen-JCP-17}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont
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{Gr\"uneis}}, \bibinfo {author} {\bibfnamefont {S.}~\bibnamefont {Hirata}},
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\bibinfo {author} {\bibfnamefont {Y.-Y.}\ \bibnamefont {Ohnishi}}, \ and\
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\bibinfo {author} {\bibfnamefont {S.}~\bibnamefont {Ten-no}},\ }\href
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{\doibase 10.1063/1.4976974} {\bibfield {journal} {\bibinfo {journal} {J.
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Chem. Phys.}\ }\textbf {\bibinfo {volume} {146}},\ \bibinfo {pages} {080901}
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(\bibinfo {year} {2017})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Ma}\ and\ \citenamefont
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{Werner}(2018)}]{MaWer-WIREs-18}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {Q.}~\bibnamefont
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{Ma}}\ and\ \bibinfo {author} {\bibfnamefont {H.-J.}\ \bibnamefont
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{Werner}},\ }\href {\doibase 10.1002/wcms.1371} {\bibfield {journal}
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{\bibinfo {journal} {WIREs Comput. Mol. Sci.}\ }\textbf {\bibinfo {volume}
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{8}},\ \bibinfo {pages} {e1371} (\bibinfo {year} {2018})}\BibitemShut
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{NoStop}%
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\bibitem [{\citenamefont {Tew}\ \emph {et~al.}(2007)\citenamefont {Tew},
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\citenamefont {Klopper}, \citenamefont {Neiss},\ and\ \citenamefont
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{Hattig}}]{TewKloNeiHat-PCCP-07}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {D.~P.}\ \bibnamefont
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{Tew}}, \bibinfo {author} {\bibfnamefont {W.}~\bibnamefont {Klopper}},
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\bibinfo {author} {\bibfnamefont {C.}~\bibnamefont {Neiss}}, \ and\ \bibinfo
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{author} {\bibfnamefont {C.}~\bibnamefont {Hattig}},\ }\href {\doibase
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10.1039/b617230j} {\bibfield {journal} {\bibinfo {journal} {Phys. Chem.
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Chem. Phys.}\ }\textbf {\bibinfo {volume} {9}},\ \bibinfo {pages} {1921}
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(\bibinfo {year} {2007})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Fliegl}\ \emph {et~al.}(2006)\citenamefont {Fliegl},
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\citenamefont {Hattig},\ and\ \citenamefont {Klopper}}]{FliHatKlo-JCP-06}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {H.}~\bibnamefont
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{Fliegl}}, \bibinfo {author} {\bibfnamefont {C.}~\bibnamefont {Hattig}}, \
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and\ \bibinfo {author} {\bibfnamefont {W.}~\bibnamefont {Klopper}},\ }\href
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{\doibase 10.1063/1.2161183} {\bibfield {journal} {\bibinfo {journal} {J.
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Chem. Phys.}\ }\textbf {\bibinfo {volume} {124}},\ \bibinfo {pages} {044112}
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(\bibinfo {year} {2006})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Neiss}\ \emph {et~al.}(2006)\citenamefont {Neiss},
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\citenamefont {Hattig},\ and\ \citenamefont {Klopper}}]{NeiHatKlo-JCP-06}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {C.}~\bibnamefont
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{Neiss}}, \bibinfo {author} {\bibfnamefont {C.}~\bibnamefont {Hattig}}, \
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and\ \bibinfo {author} {\bibfnamefont {W.}~\bibnamefont {Klopper}},\ }\href
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{\doibase 10.1063/1.2335443} {\bibfield {journal} {\bibinfo {journal} {J.
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Chem. Phys.}\ }\textbf {\bibinfo {volume} {125}},\ \bibinfo {pages} {064111}
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(\bibinfo {year} {2006})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Hanauer}\ and\ \citenamefont
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{Kohn}(2009)}]{HanKoh-JCP-09}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {M.}~\bibnamefont
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{Hanauer}}\ and\ \bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Kohn}},\
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}\href {\doibase 10.1063/1.3238237} {\bibfield {journal} {\bibinfo
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{journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {131}},\ \bibinfo
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{pages} {124118} (\bibinfo {year} {2009})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Kohn}(2009)}]{Koh-JCP-09}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont
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{Kohn}},\ }\href {\doibase 10.1063/1.3079543} {\bibfield {journal} {\bibinfo
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{journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {130}},\ \bibinfo
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{pages} {104104} (\bibinfo {year} {2009})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Shiozaki}\ and\ \citenamefont
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{Werner}(2010)}]{ShiWer-JCP-10}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {T.}~\bibnamefont
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{Shiozaki}}\ and\ \bibinfo {author} {\bibfnamefont {H.-J.}\ \bibnamefont
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{Werner}},\ }\href {\doibase 10.1063/1.3489000} {\bibfield {journal}
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{\bibinfo {journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {133}},\
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\bibinfo {pages} {141103} (\bibinfo {year} {2010})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Shiozaki}\ \emph {et~al.}(2011)\citenamefont
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{Shiozaki}, \citenamefont {Knizia},\ and\ \citenamefont
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{Werner}}]{ShiKniWer-JCP-11}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {T.}~\bibnamefont
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{Shiozaki}}, \bibinfo {author} {\bibfnamefont {G.}~\bibnamefont {Knizia}}, \
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and\ \bibinfo {author} {\bibfnamefont {H.-J.}\ \bibnamefont {Werner}},\
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}\href {\doibase 10.1063/1.3528720} {\bibfield {journal} {\bibinfo
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{journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {134}},\ \bibinfo
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{pages} {034113} (\bibinfo {year} {2011})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Shiozaki}\ and\ \citenamefont
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{Werner}(2011)}]{ShiWer-JCP-11}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {T.}~\bibnamefont
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{Shiozaki}}\ and\ \bibinfo {author} {\bibfnamefont {H.-J.}\ \bibnamefont
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{Werner}},\ }\href {\doibase 10.1063/1.3587632} {\bibfield {journal}
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{\bibinfo {journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {134}},\
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\bibinfo {pages} {184104} (\bibinfo {year} {2011})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Shiozaki}\ and\ \citenamefont
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{Werner}(2013)}]{ShiWer-MP-13}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {T.}~\bibnamefont
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{Shiozaki}}\ and\ \bibinfo {author} {\bibfnamefont {H.-J.}\ \bibnamefont
|
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{Werner}},\ }\href {\doibase 10.1080/00268976.2013.779393} {\bibfield
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{journal} {\bibinfo {journal} {Mol. Phys.}\ }\textbf {\bibinfo {volume}
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{111}},\ \bibinfo {pages} {607} (\bibinfo {year} {2013})}\BibitemShut
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{NoStop}%
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\bibitem [{\citenamefont {Hofener}\ \emph {et~al.}(2019)\citenamefont
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{Hofener}, \citenamefont {Schieschke}, \citenamefont {Klopper},\ and\
|
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\citenamefont {Kohn}}]{HofSchKloKoh-JCP-19}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {S.}~\bibnamefont
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{Hofener}}, \bibinfo {author} {\bibfnamefont {N.}~\bibnamefont {Schieschke}},
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\bibinfo {author} {\bibfnamefont {W.}~\bibnamefont {Klopper}}, \ and\
|
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\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Kohn}},\ }\href {\doibase
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10.1063/1.5094434} {\bibfield {journal} {\bibinfo {journal} {J. Chem.
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Phys.}\ }\textbf {\bibinfo {volume} {150}},\ \bibinfo {pages} {184110}
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(\bibinfo {year} {2019})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Giner}\ \emph {et~al.}(2018)\citenamefont {Giner},
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\citenamefont {Pradines}, \citenamefont {Fert\'e}, \citenamefont {Assaraf},
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\citenamefont {Savin},\ and\ \citenamefont
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{Toulouse}}]{GinPraFerAssSavTou-JCP-18}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {E.}~\bibnamefont
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{Giner}}, \bibinfo {author} {\bibfnamefont {B.}~\bibnamefont {Pradines}},
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\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Fert\'e}}, \bibinfo
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{author} {\bibfnamefont {R.}~\bibnamefont {Assaraf}}, \bibinfo {author}
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{\bibfnamefont {A.}~\bibnamefont {Savin}}, \ and\ \bibinfo {author}
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{\bibfnamefont {J.}~\bibnamefont {Toulouse}},\ }\href {\doibase
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10.1063/1.5052714} {\bibfield {journal} {\bibinfo {journal} {J. Chem.
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Phys.}\ }\textbf {\bibinfo {volume} {149}},\ \bibinfo {pages} {194301}
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(\bibinfo {year} {2018})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Loos}\ \emph
|
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{et~al.}(2019{\natexlab{a}})\citenamefont {Loos}, \citenamefont {Pradines},
|
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\citenamefont {Scemama}, \citenamefont {Toulouse},\ and\ \citenamefont
|
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{Giner}}]{LooPraSceTouGin-JPCL-19}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {P.~F.}\ \bibnamefont
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{Loos}}, \bibinfo {author} {\bibfnamefont {B.}~\bibnamefont {Pradines}},
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\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Scemama}}, \bibinfo
|
|
{author} {\bibfnamefont {J.}~\bibnamefont {Toulouse}}, \ and\ \bibinfo
|
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{author} {\bibfnamefont {E.}~\bibnamefont {Giner}},\ }\href {\doibase
|
|
10.1021/acs.jpclett.9b01176} {\bibfield {journal} {\bibinfo {journal} {J.
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Phys. Chem. Lett.}\ }\textbf {\bibinfo {volume} {10}},\ \bibinfo {pages}
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{2931} (\bibinfo {year} {2019}{\natexlab{a}})}\BibitemShut {NoStop}%
|
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\bibitem [{\citenamefont {Savin}(1996)}]{Sav-INC-96}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont
|
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{Savin}},\ }in\ \href@noop {} {\emph {\bibinfo {booktitle} {Recent
|
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Developments of Modern Density Functional Theory}}},\ \bibinfo {editor}
|
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{edited by\ \bibinfo {editor} {\bibfnamefont {J.~M.}\ \bibnamefont
|
|
{Seminario}}}\ (\bibinfo {publisher} {Elsevier},\ \bibinfo {address}
|
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{Amsterdam},\ \bibinfo {year} {1996})\ pp.\ \bibinfo {pages}
|
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{327--357}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Leininger}\ \emph {et~al.}(1997)\citenamefont
|
|
{Leininger}, \citenamefont {Stoll}, \citenamefont {Werner},\ and\
|
|
\citenamefont {Savin}}]{LeiStoWerSav-CPL-97}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {T.}~\bibnamefont
|
|
{Leininger}}, \bibinfo {author} {\bibfnamefont {H.}~\bibnamefont {Stoll}},
|
|
\bibinfo {author} {\bibfnamefont {H.-J.}\ \bibnamefont {Werner}}, \ and\
|
|
\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Savin}},\ }\href
|
|
{\doibase 10.1016/S0009-2614(97)00758-6} {\bibfield {journal} {\bibinfo
|
|
{journal} {Chem. Phys. Lett.}\ }\textbf {\bibinfo {volume} {{275}}},\
|
|
\bibinfo {pages} {151} (\bibinfo {year} {1997})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Toulouse}\ \emph
|
|
{et~al.}(2004{\natexlab{a}})\citenamefont {Toulouse}, \citenamefont
|
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{Colonna},\ and\ \citenamefont {Savin}}]{TouColSav-PRA-04}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {J.}~\bibnamefont
|
|
{Toulouse}}, \bibinfo {author} {\bibfnamefont {F.}~\bibnamefont {Colonna}}, \
|
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and\ \bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Savin}},\ }\href
|
|
{\doibase 10.1103/PhysRevA.70.062505} {\bibfield {journal} {\bibinfo
|
|
{journal} {Phys. Rev. A}\ }\textbf {\bibinfo {volume} {70}},\ \bibinfo
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|
{pages} {062505} (\bibinfo {year} {2004}{\natexlab{a}})}\BibitemShut
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{NoStop}%
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\bibitem [{\citenamefont {Toulouse}\ \emph
|
|
{et~al.}(2004{\natexlab{b}})\citenamefont {Toulouse}, \citenamefont {Savin},\
|
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and\ \citenamefont {Flad}}]{TouSavFla-IJQC-04}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {J.}~\bibnamefont
|
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{Toulouse}}, \bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Savin}}, \
|
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and\ \bibinfo {author} {\bibfnamefont {H.-J.}\ \bibnamefont {Flad}},\ }\href
|
|
{\doibase 10.1002/qua.20259} {\bibfield {journal} {\bibinfo {journal} {Int.
|
|
J. Quantum Chem.}\ }\textbf {\bibinfo {volume} {100}},\ \bibinfo {pages}
|
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{1047} (\bibinfo {year} {2004}{\natexlab{b}})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {\'Angy\'an}\ \emph {et~al.}(2005)\citenamefont
|
|
{\'Angy\'an}, \citenamefont {Gerber}, \citenamefont {Savin},\ and\
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\citenamefont {Toulouse}}]{AngGerSavTou-PRA-05}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {J.~G.}\ \bibnamefont
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{\'Angy\'an}}, \bibinfo {author} {\bibfnamefont {I.~C.}\ \bibnamefont
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{Gerber}}, \bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Savin}}, \
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and\ \bibinfo {author} {\bibfnamefont {J.}~\bibnamefont {Toulouse}},\ }\href
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{\doibase 10.1103/PhysRevA.72.012510} {\bibfield {journal} {\bibinfo
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{journal} {Phys. Rev. A}\ }\textbf {\bibinfo {volume} {72}},\ \bibinfo
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{pages} {012510} (\bibinfo {year} {2005})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Goll}\ \emph {et~al.}(2005)\citenamefont {Goll},
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\citenamefont {Werner},\ and\ \citenamefont {Stoll}}]{GolWerSto-PCCP-05}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {E.}~\bibnamefont
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{Goll}}, \bibinfo {author} {\bibfnamefont {H.-J.}\ \bibnamefont {Werner}}, \
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and\ \bibinfo {author} {\bibfnamefont {H.}~\bibnamefont {Stoll}},\ }\href
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{\doibase 10.1039/B509242F} {\bibfield {journal} {\bibinfo {journal} {Phys.
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Chem. Chem. Phys.}\ }\textbf {\bibinfo {volume} {7}},\ \bibinfo {pages}
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{3917} (\bibinfo {year} {2005})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Paziani}\ \emph {et~al.}(2006)\citenamefont
|
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{Paziani}, \citenamefont {Moroni}, \citenamefont {Gori-Giorgi},\ and\
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\citenamefont {Bachelet}}]{PazMorGorBac-PRB-06}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {S.}~\bibnamefont
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{Paziani}}, \bibinfo {author} {\bibfnamefont {S.}~\bibnamefont {Moroni}},
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\bibinfo {author} {\bibfnamefont {P.}~\bibnamefont {Gori-Giorgi}}, \ and\
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\bibinfo {author} {\bibfnamefont {G.~B.}\ \bibnamefont {Bachelet}},\ }\href
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{\doibase 10.1103/PhysRevB.73.155111} {\bibfield {journal} {\bibinfo
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{journal} {Phys. Rev. B}\ }\textbf {\bibinfo {volume} {73}},\ \bibinfo
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{pages} {155111} (\bibinfo {year} {2006})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Fromager}\ \emph {et~al.}(2007)\citenamefont
|
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{Fromager}, \citenamefont {Toulouse},\ and\ \citenamefont
|
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{Jensen}}]{FroTouJen-JCP-07}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {E.}~\bibnamefont
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{Fromager}}, \bibinfo {author} {\bibfnamefont {J.}~\bibnamefont {Toulouse}},
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\ and\ \bibinfo {author} {\bibfnamefont {H.~J.~A.}\ \bibnamefont {Jensen}},\
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}\href {\doibase 10.1063/1.3187032} {\bibfield {journal} {\bibinfo
|
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{journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {126}},\ \bibinfo
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{pages} {074111} (\bibinfo {year} {2007})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Toulouse}\ \emph {et~al.}(2009)\citenamefont
|
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{Toulouse}, \citenamefont {Gerber}, \citenamefont {Jansen}, \citenamefont
|
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{Savin},\ and\ \citenamefont {\'Angy\'an}}]{TouGerJanSavAng-PRL-09}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {J.}~\bibnamefont
|
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{Toulouse}}, \bibinfo {author} {\bibfnamefont {I.~C.}\ \bibnamefont
|
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{Gerber}}, \bibinfo {author} {\bibfnamefont {G.}~\bibnamefont {Jansen}},
|
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\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Savin}}, \ and\ \bibinfo
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{author} {\bibfnamefont {J.~G.}\ \bibnamefont {\'Angy\'an}},\ }\href
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{\doibase 10.1103/PhysRevLett.102.096404} {\bibfield {journal} {\bibinfo
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{journal} {Phys. Rev. Lett.}\ }\textbf {\bibinfo {volume} {102}},\ \bibinfo
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{pages} {096404} (\bibinfo {year} {2009})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Janesko}\ \emph {et~al.}(2009)\citenamefont
|
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{Janesko}, \citenamefont {Henderson},\ and\ \citenamefont
|
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{Scuseria}}]{JanHenScu-JCP-09}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {B.~G.}\ \bibnamefont
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{Janesko}}, \bibinfo {author} {\bibfnamefont {T.~M.}\ \bibnamefont
|
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{Henderson}}, \ and\ \bibinfo {author} {\bibfnamefont {G.~E.}\ \bibnamefont
|
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{Scuseria}},\ }\href {\doibase 10.1063/1.3090814} {\bibfield {journal}
|
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{\bibinfo {journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {130}},\
|
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\bibinfo {pages} {081105} (\bibinfo {year} {2009})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Fromager}\ \emph {et~al.}(2010)\citenamefont
|
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{Fromager}, \citenamefont {Cimiraglia},\ and\ \citenamefont
|
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{Jensen}}]{FroCimJen-PRA-10}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {E.}~\bibnamefont
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{Fromager}}, \bibinfo {author} {\bibfnamefont {R.}~\bibnamefont
|
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{Cimiraglia}}, \ and\ \bibinfo {author} {\bibfnamefont {H.~J.~A.}\
|
|
\bibnamefont {Jensen}},\ }\href {\doibase 10.1103/PhysRevA.81.024502}
|
|
{\bibfield {journal} {\bibinfo {journal} {Phys. Rev. A}\ }\textbf {\bibinfo
|
|
{volume} {81}},\ \bibinfo {pages} {024502} (\bibinfo {year}
|
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{2010})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Toulouse}\ \emph {et~al.}(2011)\citenamefont
|
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{Toulouse}, \citenamefont {Zhu}, \citenamefont {Savin}, \citenamefont
|
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{Jansen},\ and\ \citenamefont {\'Angy\'an}}]{TouZhuSavJanAng-JCP-11}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {J.}~\bibnamefont
|
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{Toulouse}}, \bibinfo {author} {\bibfnamefont {W.}~\bibnamefont {Zhu}},
|
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\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Savin}}, \bibinfo
|
|
{author} {\bibfnamefont {G.}~\bibnamefont {Jansen}}, \ and\ \bibinfo {author}
|
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{\bibfnamefont {J.~G.}\ \bibnamefont {\'Angy\'an}},\ }\href {\doibase
|
|
10.1063/1.3626551} {\bibfield {journal} {\bibinfo {journal} {J. Chem.
|
|
Phys.}\ }\textbf {\bibinfo {volume} {135}},\ \bibinfo {pages} {084119}
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(\bibinfo {year} {2011})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Mussard}\ \emph {et~al.}(2015)\citenamefont
|
|
{Mussard}, \citenamefont {Reinhardt}, \citenamefont {\'Angy\'an},\ and\
|
|
\citenamefont {Toulouse}}]{MusReiAngTou-JCP-15}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {B.}~\bibnamefont
|
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{Mussard}}, \bibinfo {author} {\bibfnamefont {P.}~\bibnamefont {Reinhardt}},
|
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\bibinfo {author} {\bibfnamefont {J.~G.}\ \bibnamefont {\'Angy\'an}}, \ and\
|
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\bibinfo {author} {\bibfnamefont {J.}~\bibnamefont {Toulouse}},\ }\href
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{\doibase 10.1063/1.4918710} {\bibfield {journal} {\bibinfo {journal} {J.
|
|
Chem. Phys.}\ }\textbf {\bibinfo {volume} {142}},\ \bibinfo {pages} {154123}
|
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(\bibinfo {year} {2015})},\ \bibinfo {note} {erratum: J. Chem. Phys. {\bf
|
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142}, 219901 (2015)}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Hedeg{\aa}rd}\ \emph {et~al.}(2015)\citenamefont
|
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{Hedeg{\aa}rd}, \citenamefont {Knecht}, \citenamefont {Kielberg},
|
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\citenamefont {Jensen},\ and\ \citenamefont
|
|
{Reiher}}]{HedKneKieJenRei-JCP-15}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {E.~D.}\ \bibnamefont
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{Hedeg{\aa}rd}}, \bibinfo {author} {\bibfnamefont {S.}~\bibnamefont
|
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{Knecht}}, \bibinfo {author} {\bibfnamefont {J.~S.}\ \bibnamefont
|
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{Kielberg}}, \bibinfo {author} {\bibfnamefont {H.~J.~A.}\ \bibnamefont
|
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{Jensen}}, \ and\ \bibinfo {author} {\bibfnamefont {M.}~\bibnamefont
|
|
{Reiher}},\ }\href {\doibase 10.1063/1.4922295} {\bibfield {journal}
|
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{\bibinfo {journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {142}},\
|
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\bibinfo {pages} {224108} (\bibinfo {year} {2015})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Hedeg{\aa}rd}\ \emph {et~al.}(2018)\citenamefont
|
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{Hedeg{\aa}rd}, \citenamefont {Toulouse},\ and\ \citenamefont
|
|
{Jensen}}]{HedTouJen-JCP-18}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {E.~D.}\ \bibnamefont
|
|
{Hedeg{\aa}rd}}, \bibinfo {author} {\bibfnamefont {J.}~\bibnamefont
|
|
{Toulouse}}, \ and\ \bibinfo {author} {\bibfnamefont {H.~J.~A.}\ \bibnamefont
|
|
{Jensen}},\ }\href {\doibase 10.1063/1.5013306} {\bibfield {journal}
|
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{\bibinfo {journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {148}},\
|
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\bibinfo {pages} {214103} (\bibinfo {year} {2018})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Fert{\'e}}\ \emph {et~al.}(2019)\citenamefont
|
|
{Fert{\'e}}, \citenamefont {Giner},\ and\ \citenamefont
|
|
{Toulouse}}]{FerGinTou-JCP-19}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont
|
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{Fert{\'e}}}, \bibinfo {author} {\bibfnamefont {E.}~\bibnamefont {Giner}}, \
|
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and\ \bibinfo {author} {\bibfnamefont {J.}~\bibnamefont {Toulouse}},\ }\href
|
|
{\doibase 10.1063/1.5082638} {\bibfield {journal} {\bibinfo {journal} {J.
|
|
Chem. Phys.}\ }\textbf {\bibinfo {volume} {150}},\ \bibinfo {pages} {084103}
|
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(\bibinfo {year} {2019})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Parr}\ and\ \citenamefont
|
|
{Yang}(1989)}]{ParYan-BOOK-89}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {R.~G.}\ \bibnamefont
|
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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 University Press},\ \bibinfo
|
|
{address} {New York},\ \bibinfo {year} {1989})\BibitemShut {NoStop}%
|
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\bibitem [{\citenamefont {Szabo}\ and\ \citenamefont
|
|
{Ostlund}(1996)}]{SzaOst-BOOK-96}%
|
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\BibitemOpen
|
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont
|
|
{Szabo}}\ and\ \bibinfo {author} {\bibfnamefont {N.~S.}\ \bibnamefont
|
|
{Ostlund}},\ }\href@noop {} {\emph {\bibinfo {title} {Modern Quantum
|
|
Chemistry: Introduction to Advanced Electronic Structure Theory}}}\ (\bibinfo
|
|
{publisher} {Dover},\ \bibinfo {address} {New York},\ \bibinfo {year}
|
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{1996})\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Kato}(1957)}]{Kat-CPAM-57}%
|
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\BibitemOpen
|
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {T.}~\bibnamefont
|
|
{Kato}},\ }\href {\doibase 10.1002/cpa.3160100201} {\bibfield {journal}
|
|
{\bibinfo {journal} {Comm. Pure Appl. Math.}\ }\textbf {\bibinfo {volume}
|
|
{10}},\ \bibinfo {pages} {151} (\bibinfo {year} {1957})}\BibitemShut
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{NoStop}%
|
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\bibitem [{\citenamefont {Franck}\ \emph {et~al.}(2015)\citenamefont {Franck},
|
|
\citenamefont {Mussard}, \citenamefont {Luppi},\ and\ \citenamefont
|
|
{Toulouse}}]{FraMusLupTou-JCP-15}%
|
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\BibitemOpen
|
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {O.}~\bibnamefont
|
|
{Franck}}, \bibinfo {author} {\bibfnamefont {B.}~\bibnamefont {Mussard}},
|
|
\bibinfo {author} {\bibfnamefont {E.}~\bibnamefont {Luppi}}, \ and\ \bibinfo
|
|
{author} {\bibfnamefont {J.}~\bibnamefont {Toulouse}},\ }\href {\doibase
|
|
10.1063/1.4907920} {\bibfield {journal} {\bibinfo {journal} {J. Chem.
|
|
Phys.}\ }\textbf {\bibinfo {volume} {142}},\ \bibinfo {pages} {074107}
|
|
(\bibinfo {year} {2015})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {{Morgan III}}\ and\ \citenamefont
|
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{Kutzelnigg}(1993)}]{MorKut-JPC-93}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {J.~D.}\ \bibnamefont
|
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{{Morgan III}}}\ and\ \bibinfo {author} {\bibfnamefont {W.}~\bibnamefont
|
|
{Kutzelnigg}},\ }\href {\doibase 10.1021/j100112a051} {\bibfield {journal}
|
|
{\bibinfo {journal} {J. Phys. Chem.}\ }\textbf {\bibinfo {volume} {97}},\
|
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\bibinfo {pages} {2425} (\bibinfo {year} {1993})}\BibitemShut {NoStop}%
|
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\bibitem [{\citenamefont {Kutzelnigg}\ and\ \citenamefont {{Morgan
|
|
III}}(1996)}]{KutMor-ZPD-96}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {W.}~\bibnamefont
|
|
{Kutzelnigg}}\ and\ \bibinfo {author} {\bibfnamefont {J.~D.}\ \bibnamefont
|
|
{{Morgan III}}},\ }\href {\doibase 10.1007/BF01426405} {\bibfield {journal}
|
|
{\bibinfo {journal} {Z. Phys. D}\ }\textbf {\bibinfo {volume} {36}},\
|
|
\bibinfo {pages} {197} (\bibinfo {year} {1996})}\BibitemShut {NoStop}%
|
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\bibitem [{\citenamefont {Tew}(2008)}]{Tew-JCP-08}%
|
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\BibitemOpen
|
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {D.~P.}\ \bibnamefont
|
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{Tew}},\ }\href {\doibase 10.1063/1.2945900} {\bibfield {journal} {\bibinfo
|
|
{journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {129}},\ \bibinfo
|
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{pages} {014104} (\bibinfo {year} {2008})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Loos}\ and\ \citenamefont
|
|
{Gill}(2010)}]{LooGil-MP-10}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {P.~F.}\ \bibnamefont
|
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{Loos}}\ and\ \bibinfo {author} {\bibfnamefont {P.~M.~W.}\ \bibnamefont
|
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{Gill}},\ }\href {\doibase 10.1080/00268976.2010.508472} {\bibfield
|
|
{journal} {\bibinfo {journal} {Mol. Phys.}\ }\textbf {\bibinfo {volume}
|
|
{108}},\ \bibinfo {pages} {2527} (\bibinfo {year} {2010})}\BibitemShut
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{NoStop}%
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\bibitem [{\citenamefont {Loos}\ \emph {et~al.}(2015)\citenamefont {Loos},
|
|
\citenamefont {Bloomfield},\ and\ \citenamefont {Gill}}]{LooBloGil-JCP-2015}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {P.~F.}\ \bibnamefont
|
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{Loos}}, \bibinfo {author} {\bibfnamefont {N.~J.}\ \bibnamefont
|
|
{Bloomfield}}, \ and\ \bibinfo {author} {\bibfnamefont {P.~M.~W.}\
|
|
\bibnamefont {Gill}},\ }\href {\doibase 10.1063/1.4935374} {\bibfield
|
|
{journal} {\bibinfo {journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume}
|
|
{143}},\ \bibinfo {pages} {181101} (\bibinfo {year} {2015})}\BibitemShut
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{NoStop}%
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\bibitem [{\citenamefont {Toulouse}\ \emph {et~al.}(2005)\citenamefont
|
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{Toulouse}, \citenamefont {Gori-Giorgi},\ and\ \citenamefont
|
|
{Savin}}]{TouGorSav-TCA-05}%
|
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\BibitemOpen
|
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {J.}~\bibnamefont
|
|
{Toulouse}}, \bibinfo {author} {\bibfnamefont {P.}~\bibnamefont
|
|
{Gori-Giorgi}}, \ and\ \bibinfo {author} {\bibfnamefont {A.}~\bibnamefont
|
|
{Savin}},\ }\href {\doibase 10.1007/s00214-005-0688-2} {\bibfield {journal}
|
|
{\bibinfo {journal} {Theor. Chem. Acc.}\ }\textbf {\bibinfo {volume}
|
|
{114}},\ \bibinfo {pages} {305} (\bibinfo {year} {2005})}\BibitemShut
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{NoStop}%
|
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\bibitem [{\citenamefont {Hohenberg}\ and\ \citenamefont
|
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{Kohn}(1964)}]{HohKoh-PR-64}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {P.}~\bibnamefont
|
|
{Hohenberg}}\ and\ \bibinfo {author} {\bibfnamefont {W.}~\bibnamefont
|
|
{Kohn}},\ }\href {\doibase 10.1103/PhysRev.136.B864} {\bibfield {journal}
|
|
{\bibinfo {journal} {Phys. Rev.}\ }\textbf {\bibinfo {volume} {{136}}},\
|
|
\bibinfo {pages} {B 864} (\bibinfo {year} {1964})}\BibitemShut {NoStop}%
|
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\bibitem [{\citenamefont {Kohn}\ and\ \citenamefont
|
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{Sham}(1965)}]{KohSha-PR-65}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {W.}~\bibnamefont
|
|
{Kohn}}\ and\ \bibinfo {author} {\bibfnamefont {L.~J.}\ \bibnamefont
|
|
{Sham}},\ }\href@noop {} {\bibfield {journal} {\bibinfo {journal} {Phys.
|
|
Rev.}\ }\textbf {\bibinfo {volume} {140}},\ \bibinfo {pages} {A1133}
|
|
(\bibinfo {year} {1965})}\BibitemShut {NoStop}%
|
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\bibitem [{\citenamefont {Loos}\ and\ \citenamefont
|
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{Gill}(2016)}]{LooGil-WIRES-16}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {P.-F.}\ \bibnamefont
|
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{Loos}}\ and\ \bibinfo {author} {\bibfnamefont {P.~M.~W.}\ \bibnamefont
|
|
{Gill}},\ }\href {\doibase doi: 10.1002/wcms.1257} {\bibfield {journal}
|
|
{\bibinfo {journal} {WIREs Comput. Mol. Sci.}\ }\textbf {\bibinfo {volume}
|
|
{6}},\ \bibinfo {pages} {410} (\bibinfo {year} {2016})}\BibitemShut {NoStop}%
|
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\bibitem [{\citenamefont {Perdew}\ \emph {et~al.}(1996)\citenamefont {Perdew},
|
|
\citenamefont {Burke},\ and\ \citenamefont {Ernzerhof}}]{PerBurErn-PRL-96}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {J.~P.}\ \bibnamefont
|
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{Perdew}}, \bibinfo {author} {\bibfnamefont {K.}~\bibnamefont {Burke}}, \
|
|
and\ \bibinfo {author} {\bibfnamefont {M.}~\bibnamefont {Ernzerhof}},\ }\href
|
|
{\doibase 10.1103/PhysRevLett.77.3865} {\bibfield {journal} {\bibinfo
|
|
{journal} {Phys. Rev. Lett.}\ }\textbf {\bibinfo {volume} {77}},\ \bibinfo
|
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{pages} {3865} (\bibinfo {year} {1996})}\BibitemShut {NoStop}%
|
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\bibitem [{\citenamefont {Gori-Giorgi}\ and\ \citenamefont
|
|
{Savin}(2006)}]{GorSav-PRA-06}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {P.}~\bibnamefont
|
|
{Gori-Giorgi}}\ and\ \bibinfo {author} {\bibfnamefont {A.}~\bibnamefont
|
|
{Savin}},\ }\href {\doibase 10.1103/PhysRevA.73.032506} {\bibfield {journal}
|
|
{\bibinfo {journal} {Phys. Rev. A}\ }\textbf {\bibinfo {volume} {73}},\
|
|
\bibinfo {pages} {032506} (\bibinfo {year} {2006})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Huron}\ \emph {et~al.}(1973)\citenamefont {Huron},
|
|
\citenamefont {Malrieu},\ and\ \citenamefont {Rancurel}}]{HurMalRan-JCP-73}%
|
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\BibitemOpen
|
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {B.}~\bibnamefont
|
|
{Huron}}, \bibinfo {author} {\bibfnamefont {J.}~\bibnamefont {Malrieu}}, \
|
|
and\ \bibinfo {author} {\bibfnamefont {P.}~\bibnamefont {Rancurel}},\ }\href
|
|
{\doibase 10.1063/1.1679199} {\bibfield {journal} {\bibinfo {journal} {J.
|
|
Chem. Phys.}\ }\textbf {\bibinfo {volume} {58}},\ \bibinfo {pages} {5745}
|
|
(\bibinfo {year} {1973})}\BibitemShut {NoStop}%
|
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\bibitem [{\citenamefont {Giner}\ \emph {et~al.}(2013)\citenamefont {Giner},
|
|
\citenamefont {Scemama},\ and\ \citenamefont {Caffarel}}]{GinSceCaf-CJC-13}%
|
|
\BibitemOpen
|
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {E.}~\bibnamefont
|
|
{Giner}}, \bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Scemama}}, \
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and\ \bibinfo {author} {\bibfnamefont {M.}~\bibnamefont {Caffarel}},\ }\href
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{\doibase 10.1139/cjc-2013-0017} {\bibfield {journal} {\bibinfo {journal}
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{Can. J. Chem.}\ }\textbf {\bibinfo {volume} {91}},\ \bibinfo {pages} {879}
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(\bibinfo {year} {2013})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Giner}\ \emph {et~al.}(2015)\citenamefont {Giner},
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\citenamefont {Scemama},\ and\ \citenamefont {Caffarel}}]{GinSceCaf-JCP-15}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {E.}~\bibnamefont
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{Giner}}, \bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Scemama}}, \
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and\ \bibinfo {author} {\bibfnamefont {M.}~\bibnamefont {Caffarel}},\ }\href
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{\doibase 10.1063/1.4905528} {\bibfield {journal} {\bibinfo {journal} {J.
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Chem. Phys.}\ }\textbf {\bibinfo {volume} {142}},\ \bibinfo {eid} {044115}
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(\bibinfo {year} {2015}),\ 10.1063/1.4905528}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Scemama}\ \emph {et~al.}(2019)\citenamefont
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{Scemama}, \citenamefont {Caffarel}, \citenamefont {Benali}, \citenamefont
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{Jacquemin},\ and\ \citenamefont {Loos}}]{SceCafBenJacLoo-RC-19}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont
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{Scemama}}, \bibinfo {author} {\bibfnamefont {M.}~\bibnamefont {Caffarel}},
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\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Benali}}, \bibinfo
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{author} {\bibfnamefont {D.}~\bibnamefont {Jacquemin}}, \ and\ \bibinfo
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{author} {\bibfnamefont {P.~F.}\ \bibnamefont {Loos}},\ }\href {\doibase
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10.1016/j.rechem.2019.100002} {\bibfield {journal} {\bibinfo {journal}
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{Res. Chem.}\ }\textbf {\bibinfo {volume} {1}},\ \bibinfo {pages} {100002}
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(\bibinfo {year} {2019})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Holmes}\ \emph {et~al.}(2017)\citenamefont {Holmes},
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\citenamefont {Umrigar},\ and\ \citenamefont {Sharma}}]{HolUmrSha-JCP-17}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {A.~A.}\ \bibnamefont
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{Holmes}}, \bibinfo {author} {\bibfnamefont {C.~J.}\ \bibnamefont {Umrigar}},
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\ and\ \bibinfo {author} {\bibfnamefont {S.}~\bibnamefont {Sharma}},\ }\href
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{\doibase 10.1063/1.4998614} {\bibfield {journal} {\bibinfo {journal} {J.
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Chem. Phys.}\ }\textbf {\bibinfo {volume} {147}},\ \bibinfo {pages} {164111}
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(\bibinfo {year} {2017})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Garniron}\ \emph {et~al.}(2019)\citenamefont
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{Garniron}, \citenamefont {Gasperich}, \citenamefont {Applencourt},
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\citenamefont {Benali}, \citenamefont {Fert{\'e}}, \citenamefont {Paquier},
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\citenamefont {Pradines}, \citenamefont {Assaraf}, \citenamefont {Reinhardt},
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\citenamefont {Toulouse}, \citenamefont {Barbaresco}, \citenamefont {Renon},
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\citenamefont {David}, \citenamefont {Malrieu}, \citenamefont {V{\'e}ril},
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\citenamefont {Caffarel}, \citenamefont {Loos}, \citenamefont {Giner},\ and\
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\citenamefont {Scemama}}]{QP2}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {Y.}~\bibnamefont
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{Garniron}}, \bibinfo {author} {\bibfnamefont {K.}~\bibnamefont {Gasperich}},
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\bibinfo {author} {\bibfnamefont {T.}~\bibnamefont {Applencourt}}, \bibinfo
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{author} {\bibfnamefont {A.}~\bibnamefont {Benali}}, \bibinfo {author}
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{\bibfnamefont {A.}~\bibnamefont {Fert{\'e}}}, \bibinfo {author}
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{\bibfnamefont {J.}~\bibnamefont {Paquier}}, \bibinfo {author} {\bibfnamefont
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{B.}~\bibnamefont {Pradines}}, \bibinfo {author} {\bibfnamefont
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{R.}~\bibnamefont {Assaraf}}, \bibinfo {author} {\bibfnamefont
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{P.}~\bibnamefont {Reinhardt}}, \bibinfo {author} {\bibfnamefont
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{J.}~\bibnamefont {Toulouse}}, \bibinfo {author} {\bibfnamefont
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{P.}~\bibnamefont {Barbaresco}}, \bibinfo {author} {\bibfnamefont
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{N.}~\bibnamefont {Renon}}, \bibinfo {author} {\bibfnamefont
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{G.}~\bibnamefont {David}}, \bibinfo {author} {\bibfnamefont {J.~P.}\
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\bibnamefont {Malrieu}}, \bibinfo {author} {\bibfnamefont {M.}~\bibnamefont
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{V{\'e}ril}}, \bibinfo {author} {\bibfnamefont {M.}~\bibnamefont {Caffarel}},
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\bibinfo {author} {\bibfnamefont {P.~F.}\ \bibnamefont {Loos}}, \bibinfo
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{author} {\bibfnamefont {E.}~\bibnamefont {Giner}}, \ and\ \bibinfo {author}
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{\bibfnamefont {A.}~\bibnamefont {Scemama}},\ }\href {\doibase
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10.1021/acs.jctc.9b00176} {\bibfield {journal} {\bibinfo {journal} {J.
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Chem. Theory Comput.}\ }\textbf {\bibinfo {volume} {15}},\ \bibinfo {pages}
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{3591} (\bibinfo {year} {2019})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Scemama}\ \emph
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{et~al.}(2018{\natexlab{a}})\citenamefont {Scemama}, \citenamefont
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{Garniron}, \citenamefont {Caffarel},\ and\ \citenamefont
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{Loos}}]{SceGarCafLoo-JCTC-18}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont
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{Scemama}}, \bibinfo {author} {\bibfnamefont {Y.}~\bibnamefont {Garniron}},
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\bibinfo {author} {\bibfnamefont {M.}~\bibnamefont {Caffarel}}, \ and\
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\bibinfo {author} {\bibfnamefont {P.~F.}\ \bibnamefont {Loos}},\ }\href
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{\doibase 10.1021/acs.jctc.7b01250} {\bibfield {journal} {\bibinfo
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{journal} {J. Chem. Theory Comput.}\ }\textbf {\bibinfo {volume} {14}},\
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\bibinfo {pages} {1395} (\bibinfo {year} {2018}{\natexlab{a}})}\BibitemShut
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{NoStop}%
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\bibitem [{\citenamefont {Loos}\ \emph
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{et~al.}(2018{\natexlab{a}})\citenamefont {Loos}, \citenamefont {Scemama},
|
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\citenamefont {Blondel}, \citenamefont {Garniron}, \citenamefont {Caffarel},\
|
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and\ \citenamefont {Jacquemin}}]{LooSceBloGarCafJac-JCTC-18}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {P.-F.}\ \bibnamefont
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{Loos}}, \bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Scemama}},
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\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Blondel}}, \bibinfo
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{author} {\bibfnamefont {Y.}~\bibnamefont {Garniron}}, \bibinfo {author}
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{\bibfnamefont {M.}~\bibnamefont {Caffarel}}, \ and\ \bibinfo {author}
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{\bibfnamefont {D.}~\bibnamefont {Jacquemin}},\ }\href {\doibase
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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}{\natexlab{a}})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Scemama}\ \emph
|
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{et~al.}(2018{\natexlab{b}})\citenamefont {Scemama}, \citenamefont {Benali},
|
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\citenamefont {Jacquemin}, \citenamefont {Caffarel},\ and\ \citenamefont
|
|
{Loos}}]{SceBenJacCafLoo-JCP-18}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont
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{Scemama}}, \bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Benali}},
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\bibinfo {author} {\bibfnamefont {D.}~\bibnamefont {Jacquemin}}, \bibinfo
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{author} {\bibfnamefont {M.}~\bibnamefont {Caffarel}}, \ and\ \bibinfo
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{author} {\bibfnamefont {P.-F.}\ \bibnamefont {Loos}},\ }\href@noop {}
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{\bibfield {journal} {\bibinfo {journal} {J. Chem. Phys.}\ }\textbf
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{\bibinfo {volume} {149}},\ \bibinfo {pages} {034108} (\bibinfo {year}
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{2018}{\natexlab{b}})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Loos}\ \emph
|
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{et~al.}(2019{\natexlab{b}})\citenamefont {Loos}, \citenamefont
|
|
{Boggio-Pasqua}, \citenamefont {Scemama}, \citenamefont {Caffarel},\ and\
|
|
\citenamefont {Jacquemin}}]{LooBogSceCafJac-JCTC-19}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {P.-F.}\ \bibnamefont
|
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{Loos}}, \bibinfo {author} {\bibfnamefont {M.}~\bibnamefont {Boggio-Pasqua}},
|
|
\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Scemama}}, \bibinfo
|
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{author} {\bibfnamefont {M.}~\bibnamefont {Caffarel}}, \ and\ \bibinfo
|
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{author} {\bibfnamefont {D.}~\bibnamefont {Jacquemin}},\ }\href {\doibase
|
|
10.1021/acs.jctc.8b01205} {\bibfield {journal} {\bibinfo {journal} {J.
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Chem. Theory Comput.}\ }\textbf {\bibinfo {volume} {15}},\ \bibinfo {pages}
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{1939} (\bibinfo {year} {2019}{\natexlab{b}})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Dasgupta}\ and\ \citenamefont
|
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{Herbert}(2017)}]{DasHer-JCC-17}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {S.}~\bibnamefont
|
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{Dasgupta}}\ and\ \bibinfo {author} {\bibfnamefont {J.~M.}\ \bibnamefont
|
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{Herbert}},\ }\href {\doibase 10.1002/jcc.24761} {\bibfield {journal}
|
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{\bibinfo {journal} {J. Comput. Chem.}\ }\textbf {\bibinfo {volume} {38}},\
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\bibinfo {pages} {869} (\bibinfo {year} {2017})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Sherrill}\ \emph {et~al.}(1998)\citenamefont
|
|
{Sherrill}, \citenamefont {Leininger}, \citenamefont {Huis},\ and\
|
|
\citenamefont {Schaefer}}]{SheLeiVanSch-JCP-98}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {C.~D.}\ \bibnamefont
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{Sherrill}}, \bibinfo {author} {\bibfnamefont {M.~L.}\ \bibnamefont
|
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{Leininger}}, \bibinfo {author} {\bibfnamefont {T.~J.~V.}\ \bibnamefont
|
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{Huis}}, \ and\ \bibinfo {author} {\bibfnamefont {H.~F.}\ \bibnamefont
|
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{Schaefer}},\ }\href {\doibase 10.1063/1.475465} {\bibfield {journal}
|
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{\bibinfo {journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {108}},\
|
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\bibinfo {pages} {1040} (\bibinfo {year} {1998})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {{H. F. Schaeffer III}}(1986)}]{Sch-Science-86}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibnamefont {{H. F. Schaeffer
|
|
III}}},\ }\href {\doibase 10.1126/science.231.4742.1100} {\bibfield
|
|
{journal} {\bibinfo {journal} {Science}\ ,\ \bibinfo {pages} {1100}}
|
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(\bibinfo {year} {1986})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Bauschlicher}\ and\ \citenamefont
|
|
{Taylor}(1986)}]{BauTay-JCP-86}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {C.~W.}\ \bibnamefont
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{Bauschlicher}}\ and\ \bibinfo {author} {\bibfnamefont {P.~R.}\ \bibnamefont
|
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{Taylor}},\ }\href {\doibase 10.1063/1.451431} {\bibfield {journal}
|
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{\bibinfo {journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {85}},\
|
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\bibinfo {pages} {6510} (\bibinfo {year} {1986})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Jensen}\ and\ \citenamefont
|
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{Bunker}(1988)}]{JenBun-JCP-88}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {P.}~\bibnamefont
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{Jensen}}\ and\ \bibinfo {author} {\bibfnamefont {P.~R.}\ \bibnamefont
|
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{Bunker}},\ }\href {\doibase 10.1063/1.455184} {\bibfield {journal}
|
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{\bibinfo {journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {89}},\
|
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\bibinfo {pages} {1327} (\bibinfo {year} {1988})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Sherrill}\ \emph {et~al.}(1997)\citenamefont
|
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{Sherrill}, \citenamefont {{Van Huis}}, \citenamefont {Yamaguchi},\ and\
|
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\citenamefont {Schaefer}}]{SheVanYamSch-JMS-97}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {C.~D.}\ \bibnamefont
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{Sherrill}}, \bibinfo {author} {\bibfnamefont {T.~J.}\ \bibnamefont {{Van
|
|
Huis}}}, \bibinfo {author} {\bibfnamefont {Y.}~\bibnamefont {Yamaguchi}}, \
|
|
and\ \bibinfo {author} {\bibfnamefont {H.~F.}\ \bibnamefont {Schaefer}},\
|
|
}\href {\doibase 10.1016/S0166-1280(97)90275-X} {\bibfield {journal}
|
|
{\bibinfo {journal} {J. Mol. Struct. (THEOCHEM)}\ }\textbf {\bibinfo
|
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{volume} {400}},\ \bibinfo {pages} {139} (\bibinfo {year}
|
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{1997})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Abrams}\ and\ \citenamefont
|
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{Sherrill}(2004)}]{AbrShe-JCP-04}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {M.~L.}\ \bibnamefont
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{Abrams}}\ and\ \bibinfo {author} {\bibfnamefont {C.~D.}\ \bibnamefont
|
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{Sherrill}},\ }\href {\doibase 10.1063/1.1804498} {\bibfield {journal}
|
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{\bibinfo {journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {121}},\
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\bibinfo {pages} {9211} (\bibinfo {year} {2004})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Abrams}\ and\ \citenamefont
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{Sherrill}(2005)}]{AbrShe-CPL-05}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {M.~L.}\ \bibnamefont
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{Abrams}}\ and\ \bibinfo {author} {\bibfnamefont {C.~D.}\ \bibnamefont
|
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{Sherrill}},\ }\href {\doibase 10.1016/j.cplett.2005.06.107} {\bibfield
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{journal} {\bibinfo {journal} {Chem. Phys. Lett.}\ }\textbf {\bibinfo
|
|
{volume} {412}},\ \bibinfo {pages} {121} (\bibinfo {year}
|
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{2005})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Zimmerman}\ \emph {et~al.}(2009)\citenamefont
|
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{Zimmerman}, \citenamefont {Toulouse}, \citenamefont {Zhang}, \citenamefont
|
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{Musgrave},\ and\ \citenamefont {Umrigar}}]{ZimTouZhaMusUmr-JCP-09}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {P.~M.}\ \bibnamefont
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{Zimmerman}}, \bibinfo {author} {\bibfnamefont {J.}~\bibnamefont {Toulouse}},
|
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\bibinfo {author} {\bibfnamefont {Z.}~\bibnamefont {Zhang}}, \bibinfo
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{author} {\bibfnamefont {C.~B.}\ \bibnamefont {Musgrave}}, \ and\ \bibinfo
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{author} {\bibfnamefont {C.~J.}\ \bibnamefont {Umrigar}},\ }\href {\doibase
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10.1063/1.3220671} {\bibfield {journal} {\bibinfo {journal} {J. Chem.
|
|
Phys.}\ }\textbf {\bibinfo {volume} {131}},\ \bibinfo {pages} {124103}
|
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(\bibinfo {year} {2009})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Gour}\ \emph {et~al.}(2010)\citenamefont {Gour},
|
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\citenamefont {Piecuch},\ and\ \citenamefont {Wloch}}]{GouPieWlo-MP-10}%
|
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\BibitemOpen
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{Gour}}, \bibinfo {author} {\bibfnamefont {P.}~\bibnamefont {Piecuch}}, \
|
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and\ \bibinfo {author} {\bibfnamefont {M.}~\bibnamefont {Wloch}},\ }\href
|
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{\doibase 10.1080/00268976.2010.518573} {\bibfield {journal} {\bibinfo
|
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{journal} {Mol. Phys.}\ }\textbf {\bibinfo {volume} {108}},\ \bibinfo {pages}
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{2633} (\bibinfo {year} {2010})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Chien}\ \emph {et~al.}(2018)\citenamefont {Chien},
|
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\citenamefont {Holmes}, \citenamefont {Otten}, \citenamefont {Umrigar},
|
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\citenamefont {Sharma},\ and\ \citenamefont
|
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{Zimmerman}}]{ChiHolAdaOttUmrShaZim-JPCA-18}%
|
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\BibitemOpen
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{Chien}}, \bibinfo {author} {\bibfnamefont {A.~A.}\ \bibnamefont {Holmes}},
|
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\bibinfo {author} {\bibfnamefont {M.}~\bibnamefont {Otten}}, \bibinfo
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{author} {\bibfnamefont {C.~J.}\ \bibnamefont {Umrigar}}, \bibinfo {author}
|
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{\bibfnamefont {S.}~\bibnamefont {Sharma}}, \ and\ \bibinfo {author}
|
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{\bibfnamefont {P.~M.}\ \bibnamefont {Zimmerman}},\ }\href {\doibase
|
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10.1021/acs.jpca.8b01554} {\bibfield {journal} {\bibinfo {journal} {J.
|
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Phys. Chem. A}\ }\textbf {\bibinfo {volume} {122}},\ \bibinfo {pages} {2714}
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(\bibinfo {year} {2018})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Helgaker}\ \emph {et~al.}(2002)\citenamefont
|
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{Helgaker}, \citenamefont {J{\o}rgensen},\ and\ \citenamefont
|
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{Olsen}}]{HelJorOls-BOOK-02}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {T.}~\bibnamefont
|
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{Helgaker}}, \bibinfo {author} {\bibfnamefont {P.}~\bibnamefont
|
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{J{\o}rgensen}}, \ and\ \bibinfo {author} {\bibfnamefont {J.}~\bibnamefont
|
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{Olsen}},\ }\href@noop {} {\emph {\bibinfo {title} {Molecular
|
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Electronic-Structure Theory}}}\ (\bibinfo {publisher} {Wiley},\ \bibinfo
|
|
{address} {Chichester},\ \bibinfo {year} {2002})\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Loos}\ \emph
|
|
{et~al.}(2018{\natexlab{b}})\citenamefont {Loos}, \citenamefont {Galland},\
|
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and\ \citenamefont {Jacquemin}}]{LooGalJac-JPCL-18}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {P.-F.}\ \bibnamefont
|
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{Loos}}, \bibinfo {author} {\bibfnamefont {N.}~\bibnamefont {Galland}}, \
|
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and\ \bibinfo {author} {\bibfnamefont {D.}~\bibnamefont {Jacquemin}},\ }\href
|
|
{\doibase 10.1021/acs.jpclett.8b02058} {\bibfield {journal} {\bibinfo
|
|
{journal} {J. Phys. Chem. Lett.}\ }\textbf {\bibinfo {volume} {9}},\ \bibinfo
|
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{pages} {4646} (\bibinfo {year} {2018}{\natexlab{b}})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Loos}\ and\ \citenamefont
|
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{Jacquemin}(2019)}]{LooJac-JCTC-19}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {P.~F.}\ \bibnamefont
|
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{Loos}}\ and\ \bibinfo {author} {\bibfnamefont {D.}~\bibnamefont
|
|
{Jacquemin}},\ }\href {\doibase 10.1021/acs.jctc.8b01103} {\bibfield
|
|
{journal} {\bibinfo {journal} {J. Chem. Theory Comput.}\ }\textbf {\bibinfo
|
|
{volume} {15}},\ \bibinfo {pages} {2481} (\bibinfo {year}
|
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{2019})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Cai}\ \emph {et~al.}(2000)\citenamefont {Cai},
|
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\citenamefont {Tozer},\ and\ \citenamefont {Reimers}}]{CaiTozRei-JCP-00}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {Z.-L.}\ \bibnamefont
|
|
{Cai}}, \bibinfo {author} {\bibfnamefont {D.~J.}\ \bibnamefont {Tozer}}, \
|
|
and\ \bibinfo {author} {\bibfnamefont {J.~R.}\ \bibnamefont {Reimers}},\
|
|
}\href {\doibase 10.1063/1.1312826} {\bibfield {journal} {\bibinfo
|
|
{journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {113}},\ \bibinfo
|
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{pages} {7084} (\bibinfo {year} {2000})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Rubio}\ \emph {et~al.}(2008)\citenamefont {Rubio},
|
|
\citenamefont {Serrano-Andr{\'e}s},\ and\ \citenamefont
|
|
{Merch{\'a}n}}]{RubSerMer-JCP-08}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {M.}~\bibnamefont
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{Rubio}}, \bibinfo {author} {\bibfnamefont {L.}~\bibnamefont
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{Serrano-Andr{\'e}s}}, \ and\ \bibinfo {author} {\bibfnamefont
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{M.}~\bibnamefont {Merch{\'a}n}},\ }\href {\doibase 10.1063/1.2837827}
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{\bibfield {journal} {\bibinfo {journal} {J. Chem. Phys.}\ }\textbf
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{\bibinfo {volume} {128}},\ \bibinfo {pages} {104305} (\bibinfo {year}
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{2008})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Li}\ and\ \citenamefont
|
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{Paldus}(2011)}]{LiPal-JCP-11}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {X.}~\bibnamefont
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{Li}}\ and\ \bibinfo {author} {\bibfnamefont {J.}~\bibnamefont {Paldus}},\
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}\href {\doibase 10.1063/1.3595513} {\bibfield {journal} {\bibinfo
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{journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {134}},\ \bibinfo
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{pages} {214118} (\bibinfo {year} {2011})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Schwabe}\ and\ \citenamefont
|
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{Goerigk}(2017)}]{SchGoe-JCTC-17}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {T.}~\bibnamefont
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{Schwabe}}\ and\ \bibinfo {author} {\bibfnamefont {L.}~\bibnamefont
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{Goerigk}},\ }\href {\doibase 10.1021/acs.jctc.7b00386} {\bibfield {journal}
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{\bibinfo {journal} {J. Chem. Theory Comput.}\ }\textbf {\bibinfo {volume}
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{13}},\ \bibinfo {pages} {4307} (\bibinfo {year} {2017})}\BibitemShut
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{NoStop}%
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\bibitem [{\citenamefont {Bartlett}\ \emph {et~al.}(1997)\citenamefont
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{Bartlett}, \citenamefont {Bene}, \citenamefont {Perera},\ and\ \citenamefont
|
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{Mattie}}]{BarDelPerMat-JMS-97}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {R.~J.}\ \bibnamefont
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{Bartlett}}, \bibinfo {author} {\bibfnamefont {J.~E.~D.}\ \bibnamefont
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{Bene}}, \bibinfo {author} {\bibfnamefont {S.}~\bibnamefont {Perera}}, \ and\
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\bibinfo {author} {\bibfnamefont {R.-P.}\ \bibnamefont {Mattie}},\ }\href
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{\doibase https://doi.org/10.1016/S0166-1280(97)90277-3} {\bibfield
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{journal} {\bibinfo {journal} {J. Mol. Struct. (THEOCHEM)}\ }\textbf
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{\bibinfo {volume} {400}},\ \bibinfo {pages} {157} (\bibinfo {year}
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{1997})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Varandas}(2008)}]{Var-JCP-08}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {A.~J.~C.}\
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\bibnamefont {Varandas}},\ }\href {\doibase 10.1063/1.3036115} {\bibfield
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{journal} {\bibinfo {journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume}
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{129}},\ \bibinfo {pages} {234103} (\bibinfo {year} {2008})}\BibitemShut
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{NoStop}%
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\bibitem [{\citenamefont {Purwanto}\ \emph {et~al.}(2009)\citenamefont
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{Purwanto}, \citenamefont {Zhang},\ and\ \citenamefont
|
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{Krakauer}}]{PurZhaKra-JCP-09}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {W.}~\bibnamefont
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{Purwanto}}, \bibinfo {author} {\bibfnamefont {S.}~\bibnamefont {Zhang}}, \
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and\ \bibinfo {author} {\bibfnamefont {H.}~\bibnamefont {Krakauer}},\ }\href
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{\doibase 10.1063/1.3077920} {\bibfield {journal} {\bibinfo {journal} {J.
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Chem. Phys.}\ }\textbf {\bibinfo {volume} {130}},\ \bibinfo {pages} {094107}
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(\bibinfo {year} {2009})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Angeli}\ \emph {et~al.}(2012)\citenamefont {Angeli},
|
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\citenamefont {Cimiraglia},\ and\ \citenamefont {Pastore}}]{AngCimPas-MP-12}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {C.}~\bibnamefont
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{Angeli}}, \bibinfo {author} {\bibfnamefont {R.}~\bibnamefont {Cimiraglia}},
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\ and\ \bibinfo {author} {\bibfnamefont {M.}~\bibnamefont {Pastore}},\ }\href
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{\doibase 10.1080/00268976.2012.689872} {\bibfield {journal} {\bibinfo
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{journal} {Mol. Phys.}\ }\textbf {\bibinfo {volume} {110}},\ \bibinfo {pages}
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{2963} (\bibinfo {year} {2012})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Booth}\ \emph {et~al.}(2011)\citenamefont {Booth},
|
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\citenamefont {Cleland}, \citenamefont {Thom},\ and\ \citenamefont
|
|
{Alavi}}]{BooCleThoAla-JCP-11}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {G.~H.}\ \bibnamefont
|
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{Booth}}, \bibinfo {author} {\bibfnamefont {D.}~\bibnamefont {Cleland}},
|
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\bibinfo {author} {\bibfnamefont {A.~J.~W.}\ \bibnamefont {Thom}}, \ and\
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\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Alavi}},\ }\href
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{\doibase 10.1063/1.3624383} {\bibfield {journal} {\bibinfo {journal} {J.
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Chem. Phys.}\ }\textbf {\bibinfo {volume} {135}},\ \bibinfo {pages} {084104}
|
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(\bibinfo {year} {2011})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Sharma}(2015)}]{Sha-JCP-15}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {S.}~\bibnamefont
|
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{Sharma}},\ }\href {\doibase 10.1063/1.4905237} {\bibfield {journal}
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{\bibinfo {journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {142}},\
|
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\bibinfo {pages} {024107} (\bibinfo {year} {2015})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Sokolov}\ and\ \citenamefont
|
|
{Chan}(2016)}]{SokCha-JCP-16}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {A.~Y.}\ \bibnamefont
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{Sokolov}}\ and\ \bibinfo {author} {\bibfnamefont {G.~K.-L.}\ \bibnamefont
|
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{Chan}},\ }\href {\doibase 10.1063/1.4941606} {\bibfield {journal} {\bibinfo
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{journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {144}},\ \bibinfo
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{pages} {064102} (\bibinfo {year} {2016})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Varandas}\ and\ \citenamefont
|
|
{Rocha}(2018)}]{VarRoc-PTRSMPES-18}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {A.~J.~C.}\
|
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\bibnamefont {Varandas}}\ and\ \bibinfo {author} {\bibfnamefont {C.~M.~R.}\
|
|
\bibnamefont {Rocha}},\ }\href {\doibase 10.1098/rsta.2017.0145} {\bibfield
|
|
{journal} {\bibinfo {journal} {Philos. Trans. R. Soc. Math. Phys. Eng.
|
|
Sci.}\ }\textbf {\bibinfo {volume} {376}},\ \bibinfo {pages} {20170145}
|
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(\bibinfo {year} {2018})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {{Serrano-Andr\'es}}\ \emph
|
|
{et~al.}(1993)\citenamefont {{Serrano-Andr\'es}}, \citenamefont {Merch\'an},
|
|
\citenamefont {Nebot-Gil}, \citenamefont {Lindh},\ and\ \citenamefont
|
|
{Roos}}]{SerMarNebLinRoo-JCP-93}%
|
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\BibitemOpen
|
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {L.}~\bibnamefont
|
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{{Serrano-Andr\'es}}}, \bibinfo {author} {\bibfnamefont {M.}~\bibnamefont
|
|
{Merch\'an}}, \bibinfo {author} {\bibfnamefont {I.}~\bibnamefont
|
|
{Nebot-Gil}}, \bibinfo {author} {\bibfnamefont {R.}~\bibnamefont {Lindh}}, \
|
|
and\ \bibinfo {author} {\bibfnamefont {B.~O.}\ \bibnamefont {Roos}},\ }\href
|
|
{\doibase 10.1063/1.465071} {\bibfield {journal} {\bibinfo {journal} {J.
|
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Chem. Phys.}\ }\textbf {\bibinfo {volume} {98}},\ \bibinfo {pages} {3151}
|
|
(\bibinfo {year} {1993})}\BibitemShut {NoStop}%
|
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\bibitem [{\citenamefont {Watts}\ \emph {et~al.}(1996)\citenamefont {Watts},
|
|
\citenamefont {Gwaltney},\ and\ \citenamefont {Bartlett}}]{WatGwaBar-JCP-96}%
|
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\BibitemOpen
|
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {J.~D.}\ \bibnamefont
|
|
{Watts}}, \bibinfo {author} {\bibfnamefont {S.~R.}\ \bibnamefont {Gwaltney}},
|
|
\ and\ \bibinfo {author} {\bibfnamefont {R.~J.}\ \bibnamefont {Bartlett}},\
|
|
}\href {\doibase 10.1063/1.471988} {\bibfield {journal} {\bibinfo {journal}
|
|
{J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {105}},\ \bibinfo {pages}
|
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{6979} (\bibinfo {year} {1996})}\BibitemShut {NoStop}%
|
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\bibitem [{\citenamefont {Wiberg}\ \emph {et~al.}(2002)\citenamefont {Wiberg},
|
|
\citenamefont {de~Oliveria},\ and\ \citenamefont
|
|
{Trucks}}]{WibOliTru-JPCA-02}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {K.~B.}\ \bibnamefont
|
|
{Wiberg}}, \bibinfo {author} {\bibfnamefont {A.~E.}\ \bibnamefont
|
|
{de~Oliveria}}, \ and\ \bibinfo {author} {\bibfnamefont {G.}~\bibnamefont
|
|
{Trucks}},\ }\href {\doibase 10.1021/jp014123x} {\bibfield {journal}
|
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{\bibinfo {journal} {J. Phys. Chem. A}\ }\textbf {\bibinfo {volume} {106}},\
|
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\bibinfo {pages} {4192} (\bibinfo {year} {2002})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Barbatti}\ \emph {et~al.}(0004)\citenamefont
|
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{Barbatti}, \citenamefont {Paier},\ and\ \citenamefont
|
|
{Lischka}}]{BarPaiLis-JCP-04}%
|
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\BibitemOpen
|
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {M.}~\bibnamefont
|
|
{Barbatti}}, \bibinfo {author} {\bibfnamefont {J.}~\bibnamefont {Paier}}, \
|
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and\ \bibinfo {author} {\bibfnamefont {H.}~\bibnamefont {Lischka}},\ }\href
|
|
{\doibase 10.1063/1.1807378} {\bibfield {journal} {\bibinfo {journal} {J.
|
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Chem. Phys.}\ }\textbf {\bibinfo {volume} {121}},\ \bibinfo {pages} {11614}
|
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(\bibinfo {year} {20004})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Angeli}(2008)}]{Ang-JCC-08}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {C.}~\bibnamefont
|
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{Angeli}},\ }\href {\doibase 10.1002/jcc.21155} {\bibfield {journal}
|
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{\bibinfo {journal} {J. Comput. Chem.}\ }\textbf {\bibinfo {volume} {30}},\
|
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\bibinfo {pages} {1319} (\bibinfo {year} {2008})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Schreiber}\ \emph {et~al.}(2008)\citenamefont
|
|
{Schreiber}, \citenamefont {Silva-Junior}, \citenamefont {Sauer},\ and\
|
|
\citenamefont {Thiel}}]{SchSilSauThi-JCP-08}%
|
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\BibitemOpen
|
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {M.}~\bibnamefont
|
|
{Schreiber}}, \bibinfo {author} {\bibfnamefont {M.~R.}\ \bibnamefont
|
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{Silva-Junior}}, \bibinfo {author} {\bibfnamefont {S.~P.~A.}\ \bibnamefont
|
|
{Sauer}}, \ and\ \bibinfo {author} {\bibfnamefont {W.}~\bibnamefont
|
|
{Thiel}},\ }\href {\doibase 10.1063/1.2889385} {\bibfield {journal}
|
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{\bibinfo {journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {128}},\
|
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\bibinfo {pages} {134110} (\bibinfo {year} {2008})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Silva-Junior}\ \emph
|
|
{et~al.}(2010{\natexlab{a}})\citenamefont {Silva-Junior}, \citenamefont
|
|
{Schreiber}, \citenamefont {Sauer},\ and\ \citenamefont
|
|
{Thiel}}]{SilSchSauThi-JCP-10}%
|
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {M.~R.}\ \bibnamefont
|
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{Silva-Junior}}, \bibinfo {author} {\bibfnamefont {M.}~\bibnamefont
|
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{Schreiber}}, \bibinfo {author} {\bibfnamefont {S.~P.~A.}\ \bibnamefont
|
|
{Sauer}}, \ and\ \bibinfo {author} {\bibfnamefont {W.}~\bibnamefont
|
|
{Thiel}},\ }\href {\doibase 10.1063/1.3499598} {\bibfield {journal}
|
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{\bibinfo {journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {133}},\
|
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\bibinfo {pages} {174318} (\bibinfo {year} {2010}{\natexlab{a}})}\BibitemShut
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{NoStop}%
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\bibitem [{\citenamefont {Silva-Junior}\ \emph
|
|
{et~al.}(2010{\natexlab{b}})\citenamefont {Silva-Junior}, \citenamefont
|
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{Sauer}, \citenamefont {Schreiber},\ and\ \citenamefont
|
|
{Thiel}}]{SilSauSchThi-MP-10}%
|
|
\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {M.~R.}\ \bibnamefont
|
|
{Silva-Junior}}, \bibinfo {author} {\bibfnamefont {S.~P.~A.}\ \bibnamefont
|
|
{Sauer}}, \bibinfo {author} {\bibfnamefont {M.}~\bibnamefont {Schreiber}}, \
|
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and\ \bibinfo {author} {\bibfnamefont {W.}~\bibnamefont {Thiel}},\ }\href
|
|
{\doibase 10.1080/00268970903549047} {\bibfield {journal} {\bibinfo
|
|
{journal} {Mol. Phys.}\ }\textbf {\bibinfo {volume} {108}},\ \bibinfo {pages}
|
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{453} (\bibinfo {year} {2010}{\natexlab{b}})}\BibitemShut {NoStop}%
|
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\bibitem [{\citenamefont {Angeli}(2010)}]{Ang-IJQC-10}%
|
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\BibitemOpen
|
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {C.}~\bibnamefont
|
|
{Angeli}},\ }\href {\doibase 10.1002/qua.22597} {\bibfield {journal}
|
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{\bibinfo {journal} {Int. J. Quantum Chem.}\ ,\ \bibinfo {pages} {2436}}
|
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(\bibinfo {year} {2010})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Daday}\ \emph {et~al.}(2012)\citenamefont {Daday},
|
|
\citenamefont {Smart}, \citenamefont {Booth}, \citenamefont {Alavi},\ and\
|
|
\citenamefont {Filippi}}]{DadSmaBooAlaFil-JCTC-12}%
|
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\BibitemOpen
|
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {C.}~\bibnamefont
|
|
{Daday}}, \bibinfo {author} {\bibfnamefont {S.}~\bibnamefont {Smart}},
|
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\bibinfo {author} {\bibfnamefont {G.~H.}\ \bibnamefont {Booth}}, \bibinfo
|
|
{author} {\bibfnamefont {A.}~\bibnamefont {Alavi}}, \ and\ \bibinfo {author}
|
|
{\bibfnamefont {C.}~\bibnamefont {Filippi}},\ }\href {\doibase
|
|
10.1021/ct300486d} {\bibfield {journal} {\bibinfo {journal} {J. Chem.
|
|
Theory. Comput.}\ }\textbf {\bibinfo {volume} {8}},\ \bibinfo {pages} {4441}
|
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(\bibinfo {year} {2012})}\BibitemShut {NoStop}%
|
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\bibitem [{\citenamefont {Feller}\ \emph {et~al.}(2014)\citenamefont {Feller},
|
|
\citenamefont {Peterson},\ and\ \citenamefont {Davidson}}]{FelPetDav-JCP-14}%
|
|
\BibitemOpen
|
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {D.}~\bibnamefont
|
|
{Feller}}, \bibinfo {author} {\bibfnamefont {K.~A.}\ \bibnamefont
|
|
{Peterson}}, \ and\ \bibinfo {author} {\bibfnamefont {E.~R.}\ \bibnamefont
|
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{Davidson}},\ }\href {\doibase 10.1063/1.4894482} {\bibfield {journal}
|
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{\bibinfo {journal} {J. Chem. Phys.}\ }\textbf {\bibinfo {volume} {141}},\
|
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\bibinfo {pages} {104302} (\bibinfo {year} {2014})}\BibitemShut {NoStop}%
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\end{thebibliography}%
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