520 lines
31 KiB
Plaintext
520 lines
31 KiB
Plaintext
%merlin.mbs apsrev4-1.bst 2010-07-25 4.21a (PWD, AO, DPC) hacked
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\begin{thebibliography}{37}%
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{Levy}},\ }\href@noop {} {\bibfield {journal} {\bibinfo {journal} {Proc.
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Quantum Chem.}\ }\textbf {\bibinfo {volume} {{24}}},\ \bibinfo {pages} {24}
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{327--357}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Toulouse}\ \emph {et~al.}(2004)\citenamefont
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\citenamefont {Mussard}, \citenamefont {Luppi},\ and\ \citenamefont
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{Toulouse}}]{FraMusLupTou-JCP-15}%
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{author} {\bibfnamefont {J.}~\bibnamefont {Toulouse}},\ }\href@noop {}
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{2015})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Perdew}\ \emph
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{et~al.}(1996{\natexlab{a}})\citenamefont {Perdew}, \citenamefont {Burke},\
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\BibitemOpen
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{1996}{\natexlab{a}})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Goll}\ \emph {et~al.}(2006)\citenamefont {Goll},
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\citenamefont {Werner}, \citenamefont {Stoll}, \citenamefont {Leininger},
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\citenamefont {Gori-Giorgi},\ and\ \citenamefont
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\bibinfo {author} {\bibfnamefont {H.}~\bibnamefont {Stoll}}, \bibinfo
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{Toulouse}, \citenamefont {Colonna},\ and\ \citenamefont
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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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{Goll}}, \bibinfo {author} {\bibfnamefont {H.-J.}\ \bibnamefont {Werner}}, \
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and\ \bibinfo {author} {\bibfnamefont {H.}~\bibnamefont {Stoll}},\
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}\href@noop {} {\bibfield {journal} {\bibinfo {journal} {Phys. Chem. Chem.
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Phys.}\ }\textbf {\bibinfo {volume} {7}},\ \bibinfo {pages} {3917} (\bibinfo
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{year} {2005})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Hohenberg}\ and\ \citenamefont
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{Kohn}(1964)}]{Hohenberg1964}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {P.}~\bibnamefont
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{Hohenberg}}\ and\ \bibinfo {author} {\bibfnamefont {W.}~\bibnamefont
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{Kohn}},\ }\href {\doibase 10.1103/PhysRevB.7.1912} {\bibfield {journal}
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{\bibinfo {journal} {Phys. Rev.}\ }\textbf {\bibinfo {volume} {136}},\
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\bibinfo {pages} {B864} (\bibinfo {year} {1964})},\ \Eprint
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{http://arxiv.org/abs/1108.5632} {arXiv:1108.5632} \BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Kohn}\ and\ \citenamefont
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{Sham}(1965{\natexlab{a}})}]{kohn1965physrev}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {W.}~\bibnamefont
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{Kohn}}\ and\ \bibinfo {author} {\bibfnamefont {L.~J.}\ \bibnamefont
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{Sham}},\ }\href@noop {} {\bibfield {journal} {\bibinfo {journal} {Physical
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Review}\ }\textbf {\bibinfo {volume} {140}},\ \bibinfo {pages} {A1133}
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(\bibinfo {year} {1965}{\natexlab{a}})}\BibitemShut {NoStop}%
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\bibitem [{\citenamefont {Sun}\ \emph {et~al.}(2017)\citenamefont {Sun},
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\citenamefont {Berkelbach}, \citenamefont {Blunt}, \citenamefont {Booth},
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\citenamefont {Guo}, \citenamefont {Li}, \citenamefont {Liu}, \citenamefont
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{McClain}, \citenamefont {Sayfutyarova}, \citenamefont {Sharma},
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\bibinfo {author} {\bibfnamefont {N.~S.}\ \bibnamefont {Blunt}}, \bibinfo
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{author} {\bibfnamefont {G.~H.}\ \bibnamefont {Booth}}, \bibinfo {author}
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{Z.}~\bibnamefont {Li}}, \bibinfo {author} {\bibfnamefont {J.}~\bibnamefont
|
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\bibinfo {author} {\bibfnamefont {S.}~\bibnamefont {Sharma}}, \bibinfo
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{author} {\bibfnamefont {S.}~\bibnamefont {Wouters}}, \ and\ \bibinfo
|
||
{author} {\bibfnamefont {G.~K.}\ \bibnamefont {Chan}},\ }\href {\doibase
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10.1002/wcms.1340} {\enquote {\bibinfo {title} {Pyscf: the python‐based
|
||
simulations of chemistry framework},}\ } (\bibinfo {year} {2017}),\ \Eprint
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{http://arxiv.org/abs/https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1340}
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{https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1340} \BibitemShut
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{NoStop}%
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\bibitem [{\citenamefont {Kohn}\ and\ \citenamefont
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{Sham}(1965{\natexlab{b}})}]{Kohn1965}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {W.}~\bibnamefont
|
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{Kohn}}\ and\ \bibinfo {author} {\bibfnamefont {L.~J.}\ \bibnamefont
|
||
{Sham}},\ }\href {\doibase 10.1103/PhysRev.140.A1133} {\bibfield {journal}
|
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{\bibinfo {journal} {Physical Review}\ }\textbf {\bibinfo {volume} {140}},\
|
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\bibinfo {pages} {A1133} (\bibinfo {year} {1965}{\natexlab{b}})}\BibitemShut
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{NoStop}%
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\bibitem [{\citenamefont {Perdew}\ \emph
|
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{et~al.}(1996{\natexlab{b}})\citenamefont {Perdew}, \citenamefont {Burke},\
|
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and\ \citenamefont {Ernzerhof}}]{PBE}%
|
||
\BibitemOpen
|
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {J.~P.}\ \bibnamefont
|
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{Perdew}}, \bibinfo {author} {\bibfnamefont {K.}~\bibnamefont {Burke}}, \
|
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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}{\natexlab{b}})}\BibitemShut {NoStop}%
|
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\bibitem [{\citenamefont {Becke}(1993)}]{B3LYP1}%
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\BibitemOpen
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {A.~D.}\ \bibnamefont
|
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{Becke}},\ }\href {\doibase 10.1063/1.464913} {\bibfield {journal} {\bibinfo
|
||
{journal} {The Journal of Chemical Physics}\ }\textbf {\bibinfo {volume}
|
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{98}},\ \bibinfo {pages} {5648} (\bibinfo {year} {1993})},\ \Eprint
|
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{http://arxiv.org/abs/https://doi.org/10.1063/1.464913}
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{https://doi.org/10.1063/1.464913} \BibitemShut {NoStop}%
|
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\bibitem [{\citenamefont {Lee}\ \emph {et~al.}(1988)\citenamefont {Lee},
|
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\citenamefont {Yang},\ and\ \citenamefont {Parr}}]{B3LYP2}%
|
||
\BibitemOpen
|
||
\bibfield {author} {\bibinfo {author} {\bibfnamefont {C.}~\bibnamefont
|
||
{Lee}}, \bibinfo {author} {\bibfnamefont {W.}~\bibnamefont {Yang}}, \ and\
|
||
\bibinfo {author} {\bibfnamefont {R.~G.}\ \bibnamefont {Parr}},\ }\href
|
||
{\doibase 10.1103/PhysRevB.37.785} {\bibfield {journal} {\bibinfo {journal}
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{Phys. Rev. B}\ }\textbf {\bibinfo {volume} {37}},\ \bibinfo {pages} {785}
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(\bibinfo {year} {1988})}\BibitemShut {NoStop}%
|
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\bibitem [{\citenamefont {Vosko}\ \emph {et~al.}(1980)\citenamefont {Vosko},
|
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\citenamefont {Wilk},\ and\ \citenamefont {Nusair}}]{B3LYP3}%
|
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\BibitemOpen
|
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\bibfield {author} {\bibinfo {author} {\bibfnamefont {S.~H.}\ \bibnamefont
|
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{Vosko}}, \bibinfo {author} {\bibfnamefont {L.}~\bibnamefont {Wilk}}, \ and\
|
||
\bibinfo {author} {\bibfnamefont {M.}~\bibnamefont {Nusair}},\ }\href
|
||
{\doibase 10.1139/p80-159} {\bibfield {journal} {\bibinfo {journal}
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{Canadian Journal of Physics}\ }\textbf {\bibinfo {volume} {58}},\ \bibinfo
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{pages} {1200} (\bibinfo {year} {1980})},\ \Eprint
|
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{https://doi.org/10.1139/p80-159} \BibitemShut {NoStop}%
|
||
\bibitem [{\citenamefont {Stephens}\ \emph {et~al.}(1994)\citenamefont
|
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{Stephens}, \citenamefont {Devlin}, \citenamefont {Chabalowski},\ and\
|
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\citenamefont {Frisch}}]{B3LYP4}%
|
||
\BibitemOpen
|
||
\bibfield {author} {\bibinfo {author} {\bibfnamefont {P.~J.}\ \bibnamefont
|
||
{Stephens}}, \bibinfo {author} {\bibfnamefont {F.~J.}\ \bibnamefont
|
||
{Devlin}}, \bibinfo {author} {\bibfnamefont {C.~F.}\ \bibnamefont
|
||
{Chabalowski}}, \ and\ \bibinfo {author} {\bibfnamefont {M.~J.}\ \bibnamefont
|
||
{Frisch}},\ }\href {\doibase 10.1021/j100096a001} {\bibfield {journal}
|
||
{\bibinfo {journal} {The Journal of Physical Chemistry}\ }\textbf {\bibinfo
|
||
{volume} {98}},\ \bibinfo {pages} {11623} (\bibinfo {year} {1994})},\ \Eprint
|
||
{http://arxiv.org/abs/https://doi.org/10.1021/j100096a001}
|
||
{https://doi.org/10.1021/j100096a001} \BibitemShut {NoStop}%
|
||
\bibitem [{\citenamefont {Adamo}\ and\ \citenamefont
|
||
{Barone}(1999)}]{adamo1999jchemphys}%
|
||
\BibitemOpen
|
||
\bibfield {author} {\bibinfo {author} {\bibfnamefont {C.}~\bibnamefont
|
||
{Adamo}}\ and\ \bibinfo {author} {\bibfnamefont {V.}~\bibnamefont {Barone}},\
|
||
}\href@noop {} {\bibfield {journal} {\bibinfo {journal} {The Journal of
|
||
Chemical Physics}\ }\textbf {\bibinfo {volume} {110}},\ \bibinfo {pages}
|
||
{6158} (\bibinfo {year} {1999})}\BibitemShut {NoStop}%
|
||
\bibitem [{\citenamefont {Zhang}\ and\ \citenamefont
|
||
{Yang}(1998)}]{PhysRevLett.80.890}%
|
||
\BibitemOpen
|
||
\bibfield {author} {\bibinfo {author} {\bibfnamefont {Y.}~\bibnamefont
|
||
{Zhang}}\ and\ \bibinfo {author} {\bibfnamefont {W.}~\bibnamefont {Yang}},\
|
||
}\href {\doibase 10.1103/PhysRevLett.80.890} {\bibfield {journal} {\bibinfo
|
||
{journal} {Phys. Rev. Lett.}\ }\textbf {\bibinfo {volume} {80}},\ \bibinfo
|
||
{pages} {890} (\bibinfo {year} {1998})}\BibitemShut {NoStop}%
|
||
\bibitem [{\citenamefont {Zhao}\ and\ \citenamefont {Truhlar}(2006)}]{M06-L}%
|
||
\BibitemOpen
|
||
\bibfield {author} {\bibinfo {author} {\bibfnamefont {Y.}~\bibnamefont
|
||
{Zhao}}\ and\ \bibinfo {author} {\bibfnamefont {D.~G.}\ \bibnamefont
|
||
{Truhlar}},\ }\href {\doibase 10.1063/1.2370993} {\bibfield {journal}
|
||
{\bibinfo {journal} {The Journal of Chemical Physics}\ }\textbf {\bibinfo
|
||
{volume} {125}},\ \bibinfo {pages} {194101} (\bibinfo {year} {2006})},\
|
||
\Eprint {http://arxiv.org/abs/https://doi.org/10.1063/1.2370993}
|
||
{https://doi.org/10.1063/1.2370993} \BibitemShut {NoStop}%
|
||
\bibitem [{\citenamefont {Bender}\ and\ \citenamefont
|
||
{Davidson}(1969)}]{Bender69}%
|
||
\BibitemOpen
|
||
\bibfield {author} {\bibinfo {author} {\bibfnamefont {C.~F.}\ \bibnamefont
|
||
{Bender}}\ and\ \bibinfo {author} {\bibfnamefont {E.~R.}\ \bibnamefont
|
||
{Davidson}},\ }\href {\doibase 10.1103/PhysRev.183.23} {\bibfield {journal}
|
||
{\bibinfo {journal} {Phys. Rev.}\ }\textbf {\bibinfo {volume} {183}},\
|
||
\bibinfo {pages} {23} (\bibinfo {year} {1969})}\BibitemShut {NoStop}%
|
||
\bibitem [{\citenamefont {Whitten}\ and\ \citenamefont
|
||
{Hackmeyer}(1969)}]{Whitten69}%
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||
\BibitemOpen
|
||
\bibfield {author} {\bibinfo {author} {\bibfnamefont {J.~L.}\ \bibnamefont
|
||
{Whitten}}\ and\ \bibinfo {author} {\bibfnamefont {M.}~\bibnamefont
|
||
{Hackmeyer}},\ }\href {\doibase 10.1063/1.1671985} {\bibfield {journal}
|
||
{\bibinfo {journal} {The Journal of Chemical Physics}\ }\textbf {\bibinfo
|
||
{volume} {51}},\ \bibinfo {pages} {5584} (\bibinfo {year} {1969})},\ \Eprint
|
||
{http://arxiv.org/abs/https://doi.org/10.1063/1.1671985}
|
||
{https://doi.org/10.1063/1.1671985} \BibitemShut {NoStop}%
|
||
\bibitem [{\citenamefont {Huron}\ \emph {et~al.}(1973)\citenamefont {Huron},
|
||
\citenamefont {Malrieu},\ and\ \citenamefont {Rancurel}}]{Huron73}%
|
||
\BibitemOpen
|
||
\bibfield {author} {\bibinfo {author} {\bibfnamefont {B.}~\bibnamefont
|
||
{Huron}}, \bibinfo {author} {\bibfnamefont {J.~P.}\ \bibnamefont {Malrieu}},
|
||
\ and\ \bibinfo {author} {\bibfnamefont {P.}~\bibnamefont {Rancurel}},\
|
||
}\href {\doibase 10.1063/1.1679199} {\bibfield {journal} {\bibinfo
|
||
{journal} {The Journal of Chemical Physics}\ }\textbf {\bibinfo {volume}
|
||
{58}},\ \bibinfo {pages} {5745} (\bibinfo {year} {1973})},\ \Eprint
|
||
{http://arxiv.org/abs/https://doi.org/10.1063/1.1679199}
|
||
{https://doi.org/10.1063/1.1679199} \BibitemShut {NoStop}%
|
||
\bibitem [{\citenamefont {Buenker}\ \emph {et~al.}(1978)\citenamefont
|
||
{Buenker}, \citenamefont {Peyerimhoff},\ and\ \citenamefont
|
||
{Butscher}}]{Buenker78}%
|
||
\BibitemOpen
|
||
\bibfield {author} {\bibinfo {author} {\bibfnamefont {R.~J.}\ \bibnamefont
|
||
{Buenker}}, \bibinfo {author} {\bibfnamefont {S.~D.}\ \bibnamefont
|
||
{Peyerimhoff}}, \ and\ \bibinfo {author} {\bibfnamefont {W.}~\bibnamefont
|
||
{Butscher}},\ }\href {\doibase 10.1080/00268977800100581} {\bibfield
|
||
{journal} {\bibinfo {journal} {Molecular Physics}\ }\textbf {\bibinfo
|
||
{volume} {35}},\ \bibinfo {pages} {771} (\bibinfo {year} {1978})},\ \Eprint
|
||
{http://arxiv.org/abs/https://doi.org/10.1080/00268977800100581}
|
||
{https://doi.org/10.1080/00268977800100581} \BibitemShut {NoStop}%
|
||
\bibitem [{\citenamefont {Evangelisti}\ \emph {et~al.}(1983)\citenamefont
|
||
{Evangelisti}, \citenamefont {Daudey},\ and\ \citenamefont
|
||
{Malrieu}}]{EVANGELISTI1983}%
|
||
\BibitemOpen
|
||
\bibfield {author} {\bibinfo {author} {\bibfnamefont {S.}~\bibnamefont
|
||
{Evangelisti}}, \bibinfo {author} {\bibfnamefont {J.-P.}\ \bibnamefont
|
||
{Daudey}}, \ and\ \bibinfo {author} {\bibfnamefont {J.-P.}\ \bibnamefont
|
||
{Malrieu}},\ }\href {\doibase https://doi.org/10.1016/0301-0104(83)85011-3}
|
||
{\bibfield {journal} {\bibinfo {journal} {Chemical Physics}\ }\textbf
|
||
{\bibinfo {volume} {75}},\ \bibinfo {pages} {91 } (\bibinfo {year}
|
||
{1983})}\BibitemShut {NoStop}%
|
||
\bibitem [{\citenamefont {Cimiraglia}(1985)}]{Cimiraglia1985}%
|
||
\BibitemOpen
|
||
\bibfield {author} {\bibinfo {author} {\bibfnamefont {R.}~\bibnamefont
|
||
{Cimiraglia}},\ }\href {\doibase 10.1063/1.449362} {\bibfield {journal}
|
||
{\bibinfo {journal} {The Journal of Chemical Physics}\ }\textbf {\bibinfo
|
||
{volume} {83}},\ \bibinfo {pages} {1746} (\bibinfo {year} {1985})},\ \Eprint
|
||
{http://arxiv.org/abs/https://doi.org/10.1063/1.449362}
|
||
{https://doi.org/10.1063/1.449362} \BibitemShut {NoStop}%
|
||
\bibitem [{\citenamefont {Chirlian}\ and\ \citenamefont
|
||
{Francl}(1987)}]{Chirlian1987}%
|
||
\BibitemOpen
|
||
\bibfield {author} {\bibinfo {author} {\bibfnamefont {L.~E.}\ \bibnamefont
|
||
{Chirlian}}\ and\ \bibinfo {author} {\bibfnamefont {M.~M.}\ \bibnamefont
|
||
{Francl}},\ }\href {\doibase 10.1002/jcc.540080616} {\bibfield {journal}
|
||
{\bibinfo {journal} {Journal of Computational Chemistry}\ }\textbf {\bibinfo
|
||
{volume} {8}},\ \bibinfo {pages} {894} (\bibinfo {year} {1987})},\ \Eprint
|
||
{http://arxiv.org/abs/https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.540080616}
|
||
{https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.540080616} \BibitemShut
|
||
{NoStop}%
|
||
\bibitem [{\citenamefont {Giner}\ \emph {et~al.}(2013)\citenamefont {Giner},
|
||
\citenamefont {Scemama},\ and\ \citenamefont {Caffarel}}]{Giner2013}%
|
||
\BibitemOpen
|
||
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|
||
{Giner}}, \bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Scemama}}, \
|
||
and\ \bibinfo {author} {\bibfnamefont {M.}~\bibnamefont {Caffarel}},\ }\href
|
||
{\doibase 10.1139/cjc-2013-0017} {\bibfield {journal} {\bibinfo {journal}
|
||
{Canadian Journal of Chemistry}\ }\textbf {\bibinfo {volume} {91}},\ \bibinfo
|
||
{pages} {879} (\bibinfo {year} {2013})},\ \Eprint
|
||
{http://arxiv.org/abs/https://doi.org/10.1139/cjc-2013-0017}
|
||
{https://doi.org/10.1139/cjc-2013-0017} \BibitemShut {NoStop}%
|
||
\bibitem [{\citenamefont {Caffarel}\ \emph {et~al.}(2014)\citenamefont
|
||
{Caffarel}, \citenamefont {Giner}, \citenamefont {Scemama},\ and\
|
||
\citenamefont {Ramírez-Solís}}]{Caffarel2014}%
|
||
\BibitemOpen
|
||
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|
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{Caffarel}}, \bibinfo {author} {\bibfnamefont {E.}~\bibnamefont {Giner}},
|
||
\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Scemama}}, \ and\
|
||
\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Ramírez-Solís}},\
|
||
}\href {\doibase 10.1021/ct5004252} {\bibfield {journal} {\bibinfo
|
||
{journal} {Journal of Chemical Theory and Computation}\ }\textbf {\bibinfo
|
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{volume} {10}},\ \bibinfo {pages} {5286} (\bibinfo {year} {2014})},\ \bibinfo
|
||
{note} {pMID: 26583212},\ \Eprint
|
||
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|
||
{https://doi.org/10.1021/ct5004252} \BibitemShut {NoStop}%
|
||
\bibitem [{\citenamefont {Caffarel}\ \emph
|
||
{et~al.}(2016{\natexlab{a}})\citenamefont {Caffarel}, \citenamefont
|
||
{Applencourt}, \citenamefont {Giner},\ and\ \citenamefont
|
||
{Scemama}}]{Caffarel16}%
|
||
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|
||
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|
||
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|
||
{Applencourt}}, \bibinfo {author} {\bibfnamefont {E.}~\bibnamefont {Giner}},
|
||
\ and\ \bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Scemama}},\ }\href
|
||
{http://scitation.aip.org/content/aip/journal/jcp/144/15/10.1063/1.4947093}
|
||
{\bibfield {journal} {\bibinfo {journal} {J. Chem. Phys.}\ }\textbf
|
||
{\bibinfo {volume} {144}},\ \bibinfo {eid} {151103} (\bibinfo {year}
|
||
{2016}{\natexlab{a}})}\BibitemShut {NoStop}%
|
||
\bibitem [{\citenamefont {Garniron}\ \emph {et~al.}(2019)\citenamefont
|
||
{Garniron}, \citenamefont {Gasperich}, \citenamefont {Applencourt},
|
||
\citenamefont {Benali}, \citenamefont {Fert{\'e}}, \citenamefont {Paquier},
|
||
\citenamefont {Pradines}, \citenamefont {Assaraf}, \citenamefont {Reinhardt},
|
||
\citenamefont {Toulouse}, \citenamefont {Barbaresco}, \citenamefont {Renon},
|
||
\citenamefont {David}, \citenamefont {Malrieu}, \citenamefont {V{\'e}ril},
|
||
\citenamefont {Caffarel}, \citenamefont {Loos}, \citenamefont {Giner},\ and\
|
||
\citenamefont {Scemama}}]{QP2}%
|
||
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|
||
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|
||
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|
||
\bibinfo {author} {\bibfnamefont {T.}~\bibnamefont {Applencourt}}, \bibinfo
|
||
{author} {\bibfnamefont {A.}~\bibnamefont {Benali}}, \bibinfo {author}
|
||
{\bibfnamefont {A.}~\bibnamefont {Fert{\'e}}}, \bibinfo {author}
|
||
{\bibfnamefont {J.}~\bibnamefont {Paquier}}, \bibinfo {author} {\bibfnamefont
|
||
{B.}~\bibnamefont {Pradines}}, \bibinfo {author} {\bibfnamefont
|
||
{R.}~\bibnamefont {Assaraf}}, \bibinfo {author} {\bibfnamefont
|
||
{P.}~\bibnamefont {Reinhardt}}, \bibinfo {author} {\bibfnamefont
|
||
{J.}~\bibnamefont {Toulouse}}, \bibinfo {author} {\bibfnamefont
|
||
{P.}~\bibnamefont {Barbaresco}}, \bibinfo {author} {\bibfnamefont
|
||
{N.}~\bibnamefont {Renon}}, \bibinfo {author} {\bibfnamefont
|
||
{G.}~\bibnamefont {David}}, \bibinfo {author} {\bibfnamefont {J.~P.}\
|
||
\bibnamefont {Malrieu}}, \bibinfo {author} {\bibfnamefont {M.}~\bibnamefont
|
||
{V{\'e}ril}}, \bibinfo {author} {\bibfnamefont {M.}~\bibnamefont {Caffarel}},
|
||
\bibinfo {author} {\bibfnamefont {P.~F.}\ \bibnamefont {Loos}}, \bibinfo
|
||
{author} {\bibfnamefont {E.}~\bibnamefont {Giner}}, \ and\ \bibinfo {author}
|
||
{\bibfnamefont {A.}~\bibnamefont {Scemama}},\ }\href {\doibase
|
||
10.1021/acs.jctc.9b00176} {\bibfield {journal} {\bibinfo {journal} {J.
|
||
Chem. Theory Comput.}\ }\textbf {\bibinfo {volume} {15}},\ \bibinfo {pages}
|
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{3591} (\bibinfo {year} {2019})}\BibitemShut {NoStop}%
|
||
\bibitem [{\citenamefont {{Fert{\'e}}}\ \emph {et~al.}(2019)\citenamefont
|
||
{{Fert{\'e}}}, \citenamefont {{Giner}},\ and\ \citenamefont
|
||
{{Toulouse}}}]{2019JChPh.150h4103F}%
|
||
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|
||
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|
||
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|
||
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|
||
{{Toulouse}}},\ }\href {\doibase 10.1063/1.5082638} {\bibfield {journal}
|
||
{\bibinfo {journal} {\jcp}\ }\textbf {\bibinfo {volume} {150}},\ \bibinfo
|
||
{eid} {084103} (\bibinfo {year} {2019})},\ \Eprint
|
||
{http://arxiv.org/abs/1901.08321} {arXiv:1901.08321 [physics.chem-ph]}
|
||
\BibitemShut {NoStop}%
|
||
\bibitem [{\citenamefont {Kim}\ \emph {et~al.}(2018)\citenamefont {Kim},
|
||
\citenamefont {Baczewski}, \citenamefont {Beaudet}, \citenamefont {Benali},
|
||
\citenamefont {Bennett}, \citenamefont {Berrill}, \citenamefont {Blunt},
|
||
\citenamefont {Borda}, \citenamefont {Casula}, \citenamefont {Ceperley},
|
||
\citenamefont {Chiesa}, \citenamefont {Clark}, \citenamefont {Clay},
|
||
\citenamefont {Delaney}, \citenamefont {Dewing}, \citenamefont {Esler},
|
||
\citenamefont {Hao}, \citenamefont {Heinonen}, \citenamefont {Kent},
|
||
\citenamefont {Krogel}, \citenamefont {Kylänpää}, \citenamefont {Li},
|
||
\citenamefont {Lopez}, \citenamefont {Luo}, \citenamefont {Malone},
|
||
\citenamefont {Martin}, \citenamefont {Mathuriya}, \citenamefont {McMinis},
|
||
\citenamefont {Melton}, \citenamefont {Mitas}, \citenamefont {Morales},
|
||
\citenamefont {Neuscamman}, \citenamefont {Parker}, \citenamefont {Flores},
|
||
\citenamefont {Romero}, \citenamefont {Rubenstein}, \citenamefont {Shea},
|
||
\citenamefont {Shin}, \citenamefont {Shulenburger}, \citenamefont {Tillack},
|
||
\citenamefont {Townsend}, \citenamefont {Tubman}, \citenamefont {Goetz},
|
||
\citenamefont {Vincent}, \citenamefont {Yang}, \citenamefont {Yang},
|
||
\citenamefont {Zhang},\ and\ \citenamefont {Zhao}}]{Kim_2018}%
|
||
\BibitemOpen
|
||
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|
||
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|
||
\bibinfo {author} {\bibfnamefont {T.~D.}\ \bibnamefont {Beaudet}}, \bibinfo
|
||
{author} {\bibfnamefont {A.}~\bibnamefont {Benali}}, \bibinfo {author}
|
||
{\bibfnamefont {M.~C.}\ \bibnamefont {Bennett}}, \bibinfo {author}
|
||
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|
||
{\bibfnamefont {N.~S.}\ \bibnamefont {Blunt}}, \bibinfo {author}
|
||
{\bibfnamefont {E.~J.~L.}\ \bibnamefont {Borda}}, \bibinfo {author}
|
||
{\bibfnamefont {M.}~\bibnamefont {Casula}}, \bibinfo {author} {\bibfnamefont
|
||
{D.~M.}\ \bibnamefont {Ceperley}}, \bibinfo {author} {\bibfnamefont
|
||
{S.}~\bibnamefont {Chiesa}}, \bibinfo {author} {\bibfnamefont {B.~K.}\
|
||
\bibnamefont {Clark}}, \bibinfo {author} {\bibfnamefont {R.~C.}\ \bibnamefont
|
||
{Clay}}, \bibinfo {author} {\bibfnamefont {K.~T.}\ \bibnamefont {Delaney}},
|
||
\bibinfo {author} {\bibfnamefont {M.}~\bibnamefont {Dewing}}, \bibinfo
|
||
{author} {\bibfnamefont {K.~P.}\ \bibnamefont {Esler}}, \bibinfo {author}
|
||
{\bibfnamefont {H.}~\bibnamefont {Hao}}, \bibinfo {author} {\bibfnamefont
|
||
{O.}~\bibnamefont {Heinonen}}, \bibinfo {author} {\bibfnamefont {P.~R.~C.}\
|
||
\bibnamefont {Kent}}, \bibinfo {author} {\bibfnamefont {J.~T.}\ \bibnamefont
|
||
{Krogel}}, \bibinfo {author} {\bibfnamefont {I.}~\bibnamefont {Kylänpää}},
|
||
\bibinfo {author} {\bibfnamefont {Y.~W.}\ \bibnamefont {Li}}, \bibinfo
|
||
{author} {\bibfnamefont {M.~G.}\ \bibnamefont {Lopez}}, \bibinfo {author}
|
||
{\bibfnamefont {Y.}~\bibnamefont {Luo}}, \bibinfo {author} {\bibfnamefont
|
||
{F.~D.}\ \bibnamefont {Malone}}, \bibinfo {author} {\bibfnamefont {R.~M.}\
|
||
\bibnamefont {Martin}}, \bibinfo {author} {\bibfnamefont {A.}~\bibnamefont
|
||
{Mathuriya}}, \bibinfo {author} {\bibfnamefont {J.}~\bibnamefont {McMinis}},
|
||
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|
||
{author} {\bibfnamefont {L.}~\bibnamefont {Mitas}}, \bibinfo {author}
|
||
{\bibfnamefont {M.~A.}\ \bibnamefont {Morales}}, \bibinfo {author}
|
||
{\bibfnamefont {E.}~\bibnamefont {Neuscamman}}, \bibinfo {author}
|
||
{\bibfnamefont {W.~D.}\ \bibnamefont {Parker}}, \bibinfo {author}
|
||
{\bibfnamefont {S.~D.~P.}\ \bibnamefont {Flores}}, \bibinfo {author}
|
||
{\bibfnamefont {N.~A.}\ \bibnamefont {Romero}}, \bibinfo {author}
|
||
{\bibfnamefont {B.~M.}\ \bibnamefont {Rubenstein}}, \bibinfo {author}
|
||
{\bibfnamefont {J.~A.~R.}\ \bibnamefont {Shea}}, \bibinfo {author}
|
||
{\bibfnamefont {H.}~\bibnamefont {Shin}}, \bibinfo {author} {\bibfnamefont
|
||
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|
||
\bibnamefont {Tillack}}, \bibinfo {author} {\bibfnamefont {J.~P.}\
|
||
\bibnamefont {Townsend}}, \bibinfo {author} {\bibfnamefont {N.~M.}\
|
||
\bibnamefont {Tubman}}, \bibinfo {author} {\bibfnamefont {B.~V.~D.}\
|
||
\bibnamefont {Goetz}}, \bibinfo {author} {\bibfnamefont {J.~E.}\ \bibnamefont
|
||
{Vincent}}, \bibinfo {author} {\bibfnamefont {D.~C.}\ \bibnamefont {Yang}},
|
||
\bibinfo {author} {\bibfnamefont {Y.}~\bibnamefont {Yang}}, \bibinfo {author}
|
||
{\bibfnamefont {S.}~\bibnamefont {Zhang}}, \ and\ \bibinfo {author}
|
||
{\bibfnamefont {L.}~\bibnamefont {Zhao}},\ }\href {\doibase
|
||
10.1088/1361-648x/aab9c3} {\bibfield {journal} {\bibinfo {journal} {Journal
|
||
of Physics: Condensed Matter}\ }\textbf {\bibinfo {volume} {30}},\ \bibinfo
|
||
{pages} {195901} (\bibinfo {year} {2018})}\BibitemShut {NoStop}%
|
||
\bibitem [{\citenamefont {Caffarel}\ \emph
|
||
{et~al.}(2016{\natexlab{b}})\citenamefont {Caffarel}, \citenamefont
|
||
{Applencourt}, \citenamefont {Giner},\ and\ \citenamefont
|
||
{Scemama}}]{Caffarel2016}%
|
||
\BibitemOpen
|
||
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|
||
{Caffarel}}, \bibinfo {author} {\bibfnamefont {T.}~\bibnamefont
|
||
{Applencourt}}, \bibinfo {author} {\bibfnamefont {E.}~\bibnamefont {Giner}},
|
||
\ and\ \bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Scemama}},\ }\href
|
||
{\doibase 10.1063/1.4947093} {\bibfield {journal} {\bibinfo {journal} {The
|
||
Journal of Chemical Physics}\ }\textbf {\bibinfo {volume} {144}},\ \bibinfo
|
||
{pages} {151103} (\bibinfo {year} {2016}{\natexlab{b}})},\ \Eprint
|
||
{http://arxiv.org/abs/https://doi.org/10.1063/1.4947093}
|
||
{https://doi.org/10.1063/1.4947093} \BibitemShut {NoStop}%
|
||
\bibitem [{\citenamefont {Scemama}\ \emph {et~al.}(2018)\citenamefont
|
||
{Scemama}, \citenamefont {Benali}, \citenamefont {Jacquemin}, \citenamefont
|
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{Caffarel},\ and\ \citenamefont {Loos}}]{H2O-exci}%
|
||
\BibitemOpen
|
||
\bibfield {author} {\bibinfo {author} {\bibfnamefont {A.}~\bibnamefont
|
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{Scemama}}, \bibinfo {author} {\bibfnamefont {A.}~\bibnamefont {Benali}},
|
||
\bibinfo {author} {\bibfnamefont {D.}~\bibnamefont {Jacquemin}}, \bibinfo
|
||
{author} {\bibfnamefont {M.}~\bibnamefont {Caffarel}}, \ and\ \bibinfo
|
||
{author} {\bibfnamefont {P.-F.}\ \bibnamefont {Loos}},\ }\href {\doibase
|
||
10.1063/1.5041327} {\bibfield {journal} {\bibinfo {journal} {The Journal of
|
||
Chemical Physics}\ }\textbf {\bibinfo {volume} {149}},\ \bibinfo {pages}
|
||
{034108} (\bibinfo {year} {2018})},\ \Eprint
|
||
{http://arxiv.org/abs/https://doi.org/10.1063/1.5041327}
|
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{https://doi.org/10.1063/1.5041327} \BibitemShut {NoStop}%
|
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\bibitem [{\citenamefont {{Scemama}}\ \emph {et~al.}(2019)\citenamefont
|
||
{{Scemama}}, \citenamefont {{Caffarel}}, \citenamefont {{Benali}},
|
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\citenamefont {{Jacquemin}},\ and\ \citenamefont {{Loos}}}]{H2O-exci-PP}%
|
||
\BibitemOpen
|
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|
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{{Scemama}}}, \bibinfo {author} {\bibfnamefont {M.}~\bibnamefont
|
||
{{Caffarel}}}, \bibinfo {author} {\bibfnamefont {A.}~\bibnamefont
|
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{{Benali}}}, \bibinfo {author} {\bibfnamefont {D.}~\bibnamefont
|
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{{Jacquemin}}}, \ and\ \bibinfo {author} {\bibfnamefont {P.-F.}\ \bibnamefont
|
||
{{Loos}}},\ }\href@noop {} {\bibfield {journal} {\bibinfo {journal} {arXiv
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e-prints}\ ,\ \bibinfo {eid} {arXiv:1904.00678}} (\bibinfo {year} {2019})},\
|
||
\Eprint {http://arxiv.org/abs/1904.00678} {arXiv:1904.00678
|
||
[physics.chem-ph]} \BibitemShut {NoStop}%
|
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\end{thebibliography}%
|