220 lines
18 KiB
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220 lines
18 KiB
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\@writefile{toc}{\contentsline {subsubsection}{\numberline {2}Condition for the functional $\mathaccentV {bar}916{E}_{\text {X}}^\mathcal {B}[{n},\zeta ,s,n^{(2)},\mu _{\Psi ^{\mathcal {B}}}]$ to obtain $S_z$ invariance}{5}{section*.13}}
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\@writefile{toc}{\contentsline {subsubsection}{\numberline {3}Conditions on $\Psi ^{\mathcal {B}}$ for the extensivity}{5}{section*.14}}
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\citation{GorSav-PRA-06}
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\@writefile{toc}{\contentsline {section}{\numberline {III}Results}{6}{section*.18}}
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\bibcite{Thom-PRL-10}{{1}{2010}{{Thom}}{{}}}
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\bibcite{ScoTho-JCP-17}{{2}{2017}{{Scott\ and\ Thom}}{{}}}
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\bibcite{SpeNeuVigFraTho-JCP-18}{{3}{2018}{{Spencer\ \emph {et~al.}}}{{Spencer, Neufeld, Vigor, Franklin,\ and\ Thom}}}
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\bibcite{DeuEmiShePie-PRL-17}{{4}{2017}{{Deustua, Shen,\ and\ Piecuch}}{{}}}
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\bibcite{DeuEmiYumShePie-JCP-19}{{6}{2019}{{Deustua\ \emph {et~al.}}}{{Deustua, Yuwono, Shen,\ and\ Piecuch}}}
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\bibcite{QiuHenZhaScu-JCP-17}{{7}{2017}{{Qiu\ \emph {et~al.}}}{{Qiu, Henderson, Zhao,\ and\ Scuseria}}}
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\bibcite{QiuHenZhaScu-JCP-18}{{8}{2018}{{Qiu\ \emph {et~al.}}}{{Qiu, Henderson, Zhao,\ and\ Scuseria}}}
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\bibcite{GomHenScu-JCP-19}{{9}{2019}{{Gomez, Henderson,\ and\ Scuseria}}{{}}}
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\bibcite{WerKno-JCP-88}{{10}{1988}{{Werner\ and\ Knowles}}{{}}}
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\bibcite{KnoWer-CPL-88}{{11}{1988}{{Knowles\ and\ Werner}}{{}}}
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\bibcite{BenErn-PhysRev-1969}{{12}{1969}{{Bender\ and\ Davidson}}{{}}}
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\bibcite{WhiHac-JCP-1969}{{13}{1969}{{Whitten\ and\ Hackmeyer}}{{}}}
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\bibcite{HurMalRan-1973}{{14}{1973}{{Huron, Malrieu,\ and\ Rancurel}}{{}}}
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\bibcite{Cim-JCC-1987}{{17}{1987}{{Cimiraglia\ and\ Persico}}{{}}}
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\bibcite{IllRubRic-JCP-88}{{18}{1988}{{Illas, Rubio,\ and\ Ricart}}{{}}}
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\bibcite{PovRubIll-TCA-92}{{19}{1992}{{Povill, Rubio,\ and\ Illas}}{{}}}
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\bibcite{MusEngels-JCC-06}{{22}{2006}{{Musch\ and\ Engels}}{{}}}
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\bibcite{BytRue-CP-09}{{23}{2009}{{Bytautas\ and\ Ruedenberg}}{{}}}
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\bibcite{GinSceCaf-CJC-13}{{24}{2013}{{Giner, Scemama,\ and\ Caffarel}}{{}}}
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\bibcite{SchEva-JCP-16}{{29}{2016}{{Schriber\ and\ Evangelista}}{{}}}
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\bibcite{GarSceGinCaffLoo-JCP-18}{{41}{2018}{{Garniron\ \emph {et~al.}}}{{Garniron, Scemama, Giner, Caffarel,\ and\ Loos}}}
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\bibcite{SceGarCafLoo-JCTC-18}{{42}{2018{}}{{Scemama\ \emph {et~al.}}}{{Scemama, Garniron, Caffarel,\ and\ Loos}}}
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\bibcite{GarGinMalSce-JCP-16}{{43}{2017}{{Garniron\ \emph {et~al.}}}{{Garniron, Giner, Malrieu,\ and\ Scemama}}}
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\bibcite{LooBogSceCafJac-JCTC-19}{{44}{2019{}}{{Loos\ \emph {et~al.}}}{{Loos, Boggio-Pasqua, Scemama, Caffarel,\ and\ Jacquemin}}}
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\bibcite{Hyl-ZP-29}{{45}{1929}{{Hylleraas}}{{}}}
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\bibcite{Kut-TCA-85}{{46}{1985}{{Kutzelnigg}}{{}}}
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\bibcite{KutKlo-JCP-91}{{47}{1991}{{Kutzelnigg\ and\ Klopper}}{{}}}
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\bibcite{NogKut-JCP-94}{{48}{1994}{{Noga\ and\ Kutzelnigg}}{{}}}
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\bibcite{HalHelJorKloKocOlsWil-CPL-98}{{49}{1998}{{Halkier\ \emph {et~al.}}}{{Halkier, Helgaker, J{\o }rgensen, Klopper, Koch, Olsen,\ and\ Wilson}}}
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\bibcite{IrmHulGru-arxiv-19}{{50}{2019}{{Irmler, Hummel,\ and\ Grüneis}}{{}}}
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\bibcite{Ten-TCA-12}{{51}{2012}{{Ten-no}}{{}}}
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\bibcite{TenNog-WIREs-12}{{52}{2012}{{Ten-no\ and\ Noga}}{{}}}
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\bibcite{HatKloKohTew-CR-12}{{53}{2012}{{Hattig\ \emph {et~al.}}}{{Hattig, Klopper, Kohn,\ and\ Tew}}}
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\bibcite{MaWer-WIREs-18}{{56}{2018}{{Ma\ and\ Werner}}{{}}}
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\bibcite{TewKloNeiHat-PCCP-07}{{57}{2007}{{Tew\ \emph {et~al.}}}{{Tew, Klopper, Neiss,\ and\ Hattig}}}
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\bibcite{GolWerSto-PCCP-05}{{61}{2005}{{Goll, Werner,\ and\ Stoll}}{{}}}
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\bibcite{JanHenScu-JCP-09}{{63}{2009}{{Janesko, Henderson,\ and\ Scuseria}}{{}}}
|
|
\bibcite{TouZhuSavJanAng-JCP-11}{{64}{2011}{{Toulouse\ \emph {et~al.}}}{{Toulouse, Zhu, Savin, Jansen,\ and\ \'Angy\'an}}}
|
|
\bibcite{MusReiAngTou-JCP-15}{{65}{2015}{{Mussard\ \emph {et~al.}}}{{Mussard, Reinhardt, \'Angy\'an,\ and\ Toulouse}}}
|
|
\bibcite{LeiStoWerSav-CPL-97}{{66}{1997}{{Leininger\ \emph {et~al.}}}{{Leininger, Stoll, Werner,\ and\ Savin}}}
|
|
\bibcite{FroTouJen-JCP-07}{{67}{2007}{{Fromager, Toulouse,\ and\ Jensen}}{{}}}
|
|
\bibcite{FroCimJen-PRA-10}{{68}{2010}{{Fromager, Cimiraglia,\ and\ Jensen}}{{}}}
|
|
\bibcite{HedKneKieJenRei-JCP-15}{{69}{2015}{{Hedeg{\r a}rd\ \emph {et~al.}}}{{Hedeg{\r a}rd, Knecht, Kielberg, Jensen,\ and\ Reiher}}}
|
|
\bibcite{HedTouJen-JCP-18}{{70}{2018}{{Hedeg{\r a}rd, Toulouse,\ and\ Jensen}}{{}}}
|
|
\bibcite{FerGinTou-JCP-18}{{71}{2019}{{Fert{\'e}, Giner,\ and\ Toulouse}}{{}}}
|
|
\bibcite{GinPraFerAssSavTou-JCP-18}{{72}{2018}{{Giner\ \emph {et~al.}}}{{Giner, Pradines, Fert\'e, Assaraf, Savin,\ and\ Toulouse}}}
|
|
\bibcite{LooPraSceTouGin-JCPL-19}{{73}{2019{}}{{Loos\ \emph {et~al.}}}{{Loos, Pradines, Scemama, Toulouse,\ and\ Giner}}}
|
|
\bibcite{GinSceTouLoo-JCP-19}{{74}{2019}{{Giner\ \emph {et~al.}}}{{Giner, Scemama, Toulouse,\ and\ Loos}}}
|
|
\bibcite{TouGorSav-TCA-05}{{75}{2005}{{Toulouse, Gori-Giorgi,\ and\ Savin}}{{}}}
|
|
\bibcite{PerBurErn-PRL-96}{{76}{1996}{{Perdew, Burke,\ and\ Ernzerhof}}{{}}}
|
|
\bibcite{GoriSav-PRA-06}{{77}{2006{}}{{Gori-Giorgi\ and\ Savin}}{{}}}
|
|
\bibcite{PazMorGorBac-PRB-06}{{78}{2006}{{Paziani\ \emph {et~al.}}}{{Paziani, Moroni, Gori-Giorgi,\ and\ Bachelet}}}
|
|
\bibcite{GritMeePer-PRA-18}{{79}{2018}{{Gritsenko, van Meer,\ and\ Pernal}}{{}}}
|
|
\bibcite{CarTruGag-JPCA-17}{{80}{2017}{{Carlson, Truhlar,\ and\ Gagliardi}}{{}}}
|
|
\bibcite{GarBulHenScu-PCCP-15}{{81}{2015}{{Garza\ \emph {et~al.}}}{{Garza, Bulik, Henderson,\ and\ Scuseria}}}
|
|
\bibcite{GorSav-PRA-06}{{82}{2006{}}{{Gori-Giorgi\ and\ Savin}}{{}}}
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