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See Table \ref {tab:Mol} for raw data}{figure.6}{}} \@writefile{toc}{\contentsline {section}{\numberline {}Supplementary material}{7}{section*.14}} \@writefile{toc}{\contentsline {section}{\numberline {}Acknowledgments}{7}{section*.15}} \bibcite{Sav-INC-96}{{22}{1996}{{Savin}}{{}}} \bibcite{LeiStoWerSav-CPL-97}{{23}{1997}{{Leininger\ \emph {et~al.}}}{{Leininger, Stoll, Werner,\ and\ Savin}}} \bibcite{TouColSav-PRA-04}{{24}{2004{}}{{Toulouse\ \emph {et~al.}}}{{Toulouse, Colonna,\ and\ Savin}}} \bibcite{TouSavFla-IJQC-04}{{25}{2004{}}{{Toulouse\ \emph {et~al.}}}{{Toulouse, Savin,\ and\ Flad}}} \bibcite{AngGerSavTou-PRA-05}{{26}{2005}{{\'Angy\'an\ \emph {et~al.}}}{{\'Angy\'an, Gerber, Savin,\ and\ Toulouse}}} \bibcite{GolWerSto-PCCP-05}{{27}{2005}{{Goll\ \emph {et~al.}}}{{Goll, Werner,\ and\ Stoll}}} \bibcite{PazMorGorBac-PRB-06}{{28}{2006}{{Paziani\ \emph {et~al.}}}{{Paziani, Moroni, Gori-Giorgi,\ and\ Bachelet}}} \bibcite{FroTouJen-JCP-07}{{29}{2007}{{Fromager\ \emph {et~al.}}}{{Fromager, Toulouse,\ and\ Jensen}}} \bibcite{TouGerJanSavAng-PRL-09}{{30}{2009}{{Toulouse\ \emph {et~al.}}}{{Toulouse, Gerber, Jansen, Savin,\ and\ \'Angy\'an}}} \bibcite{JanHenScu-JCP-09}{{31}{2009}{{Janesko\ \emph {et~al.}}}{{Janesko, Henderson,\ and\ Scuseria}}} \bibcite{FroCimJen-PRA-10}{{32}{2010}{{Fromager\ \emph {et~al.}}}{{Fromager, Cimiraglia,\ and\ Jensen}}} \bibcite{TouZhuSavJanAng-JCP-11}{{33}{2011}{{Toulouse\ \emph {et~al.}}}{{Toulouse, Zhu, Savin, Jansen,\ and\ \'Angy\'an}}} \bibcite{MusReiAngTou-JCP-15}{{34}{2015}{{Mussard\ \emph {et~al.}}}{{Mussard, Reinhardt, \'Angy\'an,\ and\ Toulouse}}} \bibcite{HedKneKieJenRei-JCP-15}{{35}{2015}{{Hedeg{\r a}rd\ \emph {et~al.}}}{{Hedeg{\r a}rd, Knecht, Kielberg, Jensen,\ and\ Reiher}}} \bibcite{HedTouJen-JCP-18}{{36}{2018}{{Hedeg{\r a}rd\ \emph {et~al.}}}{{Hedeg{\r a}rd, Toulouse,\ and\ Jensen}}} \bibcite{FerGinTou-JCP-19}{{37}{2019}{{Fert{\'e}\ \emph {et~al.}}}{{Fert{\'e}, Giner,\ and\ Toulouse}}} \bibcite{ParYan-BOOK-89}{{38}{1989}{{Parr\ and\ Yang}}{{}}} \bibcite{SzaOst-BOOK-96}{{39}{1996}{{Szabo\ and\ Ostlund}}{{}}} \bibcite{Kat-CPAM-57}{{40}{1957}{{Kato}}{{}}} \bibcite{FraMusLupTou-JCP-15}{{41}{2015}{{Franck\ \emph {et~al.}}}{{Franck, Mussard, Luppi,\ and\ Toulouse}}} \bibcite{MorKut-JPC-93}{{42}{1993}{{{Morgan III}\ and\ Kutzelnigg}}{{}}} \bibcite{KutMor-ZPD-96}{{43}{1996}{{Kutzelnigg\ and\ {Morgan III}}}{{}}} \bibcite{Tew-JCP-08}{{44}{2008}{{Tew}}{{}}} \bibcite{LooGil-MP-10}{{45}{2010}{{Loos\ and\ Gill}}{{}}} \bibcite{LooBloGil-JCP-2015}{{46}{2015}{{Loos\ \emph {et~al.}}}{{Loos, Bloomfield,\ and\ Gill}}} \bibcite{TouGorSav-TCA-05}{{47}{2005}{{Toulouse\ \emph {et~al.}}}{{Toulouse, Gori-Giorgi,\ and\ Savin}}} \bibcite{HohKoh-PR-64}{{48}{1964}{{Hohenberg\ and\ Kohn}}{{}}} \bibcite{KohSha-PR-65}{{49}{1965}{{Kohn\ and\ Sham}}{{}}} \bibcite{LooGil-WIRES-16}{{50}{2016}{{Loos\ and\ Gill}}{{}}} \bibcite{PerBurErn-PRL-96}{{51}{1996}{{Perdew\ \emph {et~al.}}}{{Perdew, Burke,\ and\ Ernzerhof}}} \bibcite{GorSav-PRA-06}{{52}{2006}{{Gori-Giorgi\ and\ Savin}}{{}}} \bibcite{HurMalRan-JCP-73}{{53}{1973}{{Huron\ \emph {et~al.}}}{{Huron, Malrieu,\ and\ Rancurel}}} \bibcite{GinSceCaf-CJC-13}{{54}{2013}{{Giner\ \emph {et~al.}}}{{Giner, Scemama,\ and\ Caffarel}}} \bibcite{GinSceCaf-JCP-15}{{55}{2015}{{Giner\ \emph {et~al.}}}{{Giner, Scemama,\ and\ Caffarel}}} \bibcite{SceCafBenJacLoo-RC-19}{{56}{2019}{{Scemama\ \emph {et~al.}}}{{Scemama, Caffarel, Benali, Jacquemin,\ and\ Loos}}} \bibcite{HolUmrSha-JCP-17}{{57}{2017}{{Holmes\ \emph {et~al.}}}{{Holmes, Umrigar,\ and\ Sharma}}} \bibcite{QP2}{{58}{2019}{{Garniron\ \emph {et~al.}}}{{Garniron, Gasperich, Applencourt, Benali, Fert{\'e}, Paquier, Pradines, Assaraf, Reinhardt, Toulouse, Barbaresco, Renon, David, Malrieu, V{\'e}ril, Caffarel, Loos, Giner,\ and\ Scemama}}} \bibcite{SceGarCafLoo-JCTC-18}{{59}{2018{}}{{Scemama\ \emph {et~al.}}}{{Scemama, Garniron, Caffarel,\ and\ Loos}}} \bibcite{LooSceBloGarCafJac-JCTC-18}{{60}{2018{}}{{Loos\ \emph {et~al.}}}{{Loos, Scemama, Blondel, Garniron, Caffarel,\ and\ Jacquemin}}} \bibcite{SceBenJacCafLoo-JCP-18}{{61}{2018{}}{{Scemama\ \emph {et~al.}}}{{Scemama, Benali, Jacquemin, Caffarel,\ and\ Loos}}} \bibcite{LooBogSceCafJac-JCTC-19}{{62}{2019{}}{{Loos\ \emph {et~al.}}}{{Loos, Boggio-Pasqua, Scemama, Caffarel,\ and\ Jacquemin}}} \bibcite{DasHer-JCC-17}{{63}{2017}{{Dasgupta\ and\ Herbert}}{{}}} \bibcite{SheLeiVanSch-JCP-98}{{64}{1998}{{Sherrill\ \emph {et~al.}}}{{Sherrill, Leininger, Huis,\ and\ Schaefer}}} \bibcite{Sch-Science-86}{{65}{1986}{{{H. 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