109 lines
9.3 KiB
TeX
109 lines
9.3 KiB
TeX
\relax
|
|
\providecommand\hyper@newdestlabel[2]{}
|
|
\providecommand\HyperFirstAtBeginDocument{\AtBeginDocument}
|
|
\HyperFirstAtBeginDocument{\ifx\hyper@anchor\@undefined
|
|
\global\let\oldcontentsline\contentsline
|
|
\gdef\contentsline#1#2#3#4{\oldcontentsline{#1}{#2}{#3}}
|
|
\global\let\oldnewlabel\newlabel
|
|
\gdef\newlabel#1#2{\newlabelxx{#1}#2}
|
|
\gdef\newlabelxx#1#2#3#4#5#6{\oldnewlabel{#1}{{#2}{#3}}}
|
|
\AtEndDocument{\ifx\hyper@anchor\@undefined
|
|
\let\contentsline\oldcontentsline
|
|
\let\newlabel\oldnewlabel
|
|
\fi}
|
|
\fi}
|
|
\global\let\hyper@last\relax
|
|
\gdef\HyperFirstAtBeginDocument#1{#1}
|
|
\providecommand\HyField@AuxAddToFields[1]{}
|
|
\providecommand\HyField@AuxAddToCoFields[2]{}
|
|
\citation{alex_thom,piotr}
|
|
\citation{scuseria}
|
|
\citation{BenErn-PhysRev-1969,WhiHac-JCP-1969,HurMalRan-1973,ShBuPeyChemPhys78,BuePeyButMolPhys78,EvaDauMal-ChemPhys-83,Cim-JCP-1985,Cim-JCC-1987,IllRubRic-JCP-88,PovRubIll-TCA-92,BunCarRam-JCP-06,AbrSheDav-CPL-05,MusEngels-JCC-06,BytRue-CP-09,GinSceCaf-CJC-13,CafGinScemRam-JCTC-14,GinSceCaf-JCP-15,CafAplGinScem-arxiv-16,CafAplGinSce-JCP-16,SchEva-JCP-16,LiuHofJCTC-16,HolUmrSha-JCP-17,ShaHolJeaAlaUmr-JCTC-17,HolUmrSha-JCP-17,SchEva-JCTC-17,PerCle-JCP-17,OhtJun-JCP-17,Zim-JCP-17,LiOttHolShaUmr-JCP-2018,ChiHolOttUmrShaZim-JPCA-18,SceBenJacCafLoo-JCP-18,LooSceBloGarCafJac-JCTC-18,GarSceGinCaffLoo-JCP-18,SceGarCafLoo-JCTC-18,GarGinMalSce-JCP-16,LooBogSceCafJac-JCTC-19}
|
|
\newlabel{FirstPage}{{}{1}{}{section*.1}{}}
|
|
\@writefile{toc}{\contentsline {title}{Mixing density functional theory and wave function theory for strong correlation: the best of both worlds}{1}{section*.2}}
|
|
\@writefile{toc}{\contentsline {abstract}{Abstract}{1}{section*.1}}
|
|
\@writefile{toc}{\contentsline {section}{\numberline {I}Introduction}{1}{section*.3}}
|
|
\citation{GinPraFerAssSavTou-JCP-18}
|
|
\citation{GinPraFerAssSavTou-JCP-18}
|
|
\citation{GinPraFerAssSavTou-JCP-18}
|
|
\citation{GinPraFerAssSavTou-JCP-18}
|
|
\citation{G2,excited}
|
|
\citation{kato}
|
|
\@writefile{toc}{\contentsline {section}{\numberline {II}Theory}{2}{section*.4}}
|
|
\@writefile{toc}{\contentsline {subsection}{\numberline {A}Basic formal equations}{2}{section*.5}}
|
|
\newlabel{sec:basic}{{II\tmspace +\thinmuskip {.1667em}A}{2}{}{section*.5}{}}
|
|
\newlabel{eq:levy}{{1}{2}{}{equation.2.1}{}}
|
|
\newlabel{eq:levy_func}{{2}{2}{}{equation.2.2}{}}
|
|
\newlabel{eq:e0approx}{{5}{2}{}{equation.2.5}{}}
|
|
\@writefile{toc}{\contentsline {subsection}{\numberline {B}Definition of an effective interaction within $\mathcal {B}$}{2}{section*.6}}
|
|
\newlabel{sec:wee}{{II\tmspace +\thinmuskip {.1667em}B}{2}{}{section*.6}{}}
|
|
\citation{GinPraFerAssSavTou-JCP-18}
|
|
\citation{GinPraFerAssSavTou-JCP-18}
|
|
\citation{GinPraFerAssSavTou-JCP-18}
|
|
\bibdata{srDFT_SCNotes,srDFT_SC}
|
|
\bibcite{BenErn-PhysRev-1969}{{1}{1969}{{Bender\ and\ Davidson}}{{}}}
|
|
\bibcite{WhiHac-JCP-1969}{{2}{1969}{{Whitten\ and\ Hackmeyer}}{{}}}
|
|
\bibcite{HurMalRan-1973}{{3}{1973}{{Huron, Malrieu,\ and\ Rancurel}}{{}}}
|
|
\bibcite{EvaDauMal-ChemPhys-83}{{4}{1983}{{Evangelisti, Daudey,\ and\ Malrieu}}{{}}}
|
|
\bibcite{Cim-JCP-1985}{{5}{1985}{{Cimiraglia}}{{}}}
|
|
\bibcite{Cim-JCC-1987}{{6}{1987}{{Cimiraglia\ and\ Persico}}{{}}}
|
|
\bibcite{IllRubRic-JCP-88}{{7}{1988}{{Illas, Rubio,\ and\ Ricart}}{{}}}
|
|
\bibcite{PovRubIll-TCA-92}{{8}{1992}{{Povill, Rubio,\ and\ Illas}}{{}}}
|
|
\bibcite{BunCarRam-JCP-06}{{9}{2006}{{Bunge\ and\ Carb{\'o}-Dorca}}{{}}}
|
|
\bibcite{AbrSheDav-CPL-05}{{10}{2005}{{Abrams\ and\ Sherrill}}{{}}}
|
|
\bibcite{MusEngels-JCC-06}{{11}{2006}{{Musch\ and\ Engels}}{{}}}
|
|
\bibcite{BytRue-CP-09}{{12}{2009}{{Bytautas\ and\ Ruedenberg}}{{}}}
|
|
\bibcite{GinSceCaf-CJC-13}{{13}{2013}{{Giner, Scemama,\ and\ Caffarel}}{{}}}
|
|
\bibcite{CafGinScemRam-JCTC-14}{{14}{2014}{{Caffarel\ \emph {et~al.}}}{{Caffarel, Giner, Scemama,\ and\ Ram{\'\i }rez-Sol{\'\i }s}}}
|
|
\bibcite{GinSceCaf-JCP-15}{{15}{2015}{{Giner, Scemama,\ and\ Caffarel}}{{}}}
|
|
\bibcite{CafAplGinScem-arxiv-16}{{16}{2016{}}{{Caffarel\ \emph {et~al.}}}{{Caffarel, Applencourt, Giner,\ and\ Scemama}}}
|
|
\bibcite{CafAplGinSce-JCP-16}{{17}{2016{}}{{Caffarel\ \emph {et~al.}}}{{Caffarel, Applencourt, Giner,\ and\ Scemama}}}
|
|
\bibcite{SchEva-JCP-16}{{18}{2016}{{Schriber\ and\ Evangelista}}{{}}}
|
|
\bibcite{LiuHofJCTC-16}{{19}{2016}{{Liu\ and\ Hoffmann}}{{}}}
|
|
\bibcite{HolUmrSha-JCP-17}{{20}{2017}{{Holmes, Umrigar,\ and\ Sharma}}{{}}}
|
|
\bibcite{ShaHolJeaAlaUmr-JCTC-17}{{21}{2017}{{Sharma\ \emph {et~al.}}}{{Sharma, Holmes, Jeanmairet, Alavi,\ and\ Umrigar}}}
|
|
\bibcite{SchEva-JCTC-17}{{22}{2017}{{Schriber\ and\ Evangelista}}{{}}}
|
|
\bibcite{PerCle-JCP-17}{{23}{2017}{{Per\ and\ Cleland}}{{}}}
|
|
\bibcite{OhtJun-JCP-17}{{24}{2017}{{Ohtsuka\ and\ ya~Hasegawa}}{{}}}
|
|
\bibcite{Zim-JCP-17}{{25}{2017}{{Zimmerman}}{{}}}
|
|
\newlabel{eq:wbasis}{{6}{3}{}{equation.2.6}{}}
|
|
\newlabel{eq:fbasis}{{8}{3}{}{equation.2.8}{}}
|
|
\newlabel{eq:cbs_wbasis}{{10}{3}{}{equation.2.10}{}}
|
|
\@writefile{toc}{\contentsline {subsection}{\numberline {C}Definition of an range-separation parameter varying in real space}{3}{section*.7}}
|
|
\newlabel{sec:mur}{{II\tmspace +\thinmuskip {.1667em}C}{3}{}{section*.7}{}}
|
|
\newlabel{eq:weelr}{{11}{3}{}{equation.2.11}{}}
|
|
\newlabel{eq:cbs_mu}{{14}{3}{}{equation.2.14}{}}
|
|
\@writefile{toc}{\contentsline {subsection}{\numberline {D}Approximation for $\mathaccentV {bar}916{E}^\mathcal {B}[{n}({\bf r})]$ : link with RSDFT}{3}{section*.8}}
|
|
\@writefile{toc}{\contentsline {subsubsection}{\numberline {1}Generic form of the approximated functionals}{3}{section*.9}}
|
|
\@writefile{toc}{\contentsline {subsubsection}{\numberline {2}Introduction of the effective spin-density}{3}{section*.10}}
|
|
\@writefile{toc}{\contentsline {subsubsection}{\numberline {3}Requirement for $\Psi _{}^{\mathcal {B}}$ for size extensivity}{3}{section*.11}}
|
|
\@writefile{toc}{\contentsline {section}{\numberline {III}Results}{3}{section*.12}}
|
|
\bibcite{LiOttHolShaUmr-JCP-2018}{{26}{2018}{{Li\ \emph {et~al.}}}{{Li, Otten, Holmes, Sharma,\ and\ Umrigar}}}
|
|
\bibcite{ChiHolOttUmrShaZim-JPCA-18}{{27}{2018}{{Chien\ \emph {et~al.}}}{{Chien, Holmes, Otten, Umrigar, Sharma,\ and\ Zimmerman}}}
|
|
\bibcite{SceBenJacCafLoo-JCP-18}{{28}{2018{}}{{Scemama\ \emph {et~al.}}}{{Scemama, Benali, Jacquemin, Caffarel,\ and\ Loos}}}
|
|
\bibcite{LooSceBloGarCafJac-JCTC-18}{{29}{2018}{{Loos\ \emph {et~al.}}}{{Loos, Scemama, Blondel, Garniron, Caffarel,\ and\ Jacquemin}}}
|
|
\bibcite{GarSceGinCaffLoo-JCP-18}{{30}{2018}{{Garniron\ \emph {et~al.}}}{{Garniron, Scemama, Giner, Caffarel,\ and\ Loos}}}
|
|
\bibcite{SceGarCafLoo-JCTC-18}{{31}{2018{}}{{Scemama\ \emph {et~al.}}}{{Scemama, Garniron, Caffarel,\ and\ Loos}}}
|
|
\bibcite{GarGinMalSce-JCP-16}{{32}{2017}{{Garniron\ \emph {et~al.}}}{{Garniron, Giner, Malrieu,\ and\ Scemama}}}
|
|
\bibcite{LooBogSceCafJac-JCTC-19}{{33}{2019}{{Loos\ \emph {et~al.}}}{{Loos, Boggio-Pasqua, Scemama, Caffarel,\ and\ Jacquemin}}}
|
|
\bibcite{GinPraFerAssSavTou-JCP-18}{{34}{2018}{{Giner\ \emph {et~al.}}}{{Giner, Pradines, Fert\'e, Assaraf, Savin,\ and\ Toulouse}}}
|
|
\bibstyle{aipnum4-1}
|
|
\citation{REVTEX41Control}
|
|
\citation{aip41Control}
|
|
\@writefile{lof}{\contentsline {figure}{\numberline {1}{\ignorespaces N$_2$, aug-cc-pvdz: Comparison between the near FCI and corrected near FCI energies and the estimated exact one. }}{4}{figure.1}}
|
|
\newlabel{fig:N2_avdz}{{1}{4}{N$_2$, aug-cc-pvdz: Comparison between the near FCI and corrected near FCI energies and the estimated exact one}{figure.1}{}}
|
|
\@writefile{lof}{\contentsline {figure}{\numberline {2}{\ignorespaces N$_2$, aug-cc-pvtz: Comparison between the near FCI and corrected near FCI energies and the estimated exact one. }}{4}{figure.2}}
|
|
\newlabel{fig:N2_avtz}{{2}{4}{N$_2$, aug-cc-pvtz: Comparison between the near FCI and corrected near FCI energies and the estimated exact one}{figure.2}{}}
|
|
\newlabel{LastBibItem}{{34}{4}{}{figure.7}{}}
|
|
\@writefile{lof}{\contentsline {figure}{\numberline {3}{\ignorespaces F$_2$, aug-cc-pvdz: Comparison between the near FCI and corrected near FCI energies and the estimated exact one. }}{5}{figure.3}}
|
|
\newlabel{fig:F2_avdz}{{3}{5}{F$_2$, aug-cc-pvdz: Comparison between the near FCI and corrected near FCI energies and the estimated exact one}{figure.3}{}}
|
|
\@writefile{lof}{\contentsline {figure}{\numberline {4}{\ignorespaces F$_2$, aug-cc-pvtz: Comparison between the near FCI and corrected near FCI energies and the estimated exact one. }}{6}{figure.4}}
|
|
\newlabel{fig:F2_avtz}{{4}{6}{F$_2$, aug-cc-pvtz: Comparison between the near FCI and corrected near FCI energies and the estimated exact one}{figure.4}{}}
|
|
\@writefile{lof}{\contentsline {figure}{\numberline {5}{\ignorespaces H$_{10}$, cc-pvdz: Comparison between the near FCI and corrected near FCI energies and the estimated exact one. }}{7}{figure.5}}
|
|
\newlabel{fig:H10_vdz}{{5}{7}{H$_{10}$, cc-pvdz: Comparison between the near FCI and corrected near FCI energies and the estimated exact one}{figure.5}{}}
|
|
\@writefile{lof}{\contentsline {figure}{\numberline {6}{\ignorespaces H$_{10}$, cc-pvtz: Comparison between the near FCI and corrected near FCI energies and the estimated exact one. }}{7}{figure.6}}
|
|
\newlabel{fig:H10_vtz}{{6}{7}{H$_{10}$, cc-pvtz: Comparison between the near FCI and corrected near FCI energies and the estimated exact one}{figure.6}{}}
|
|
\@writefile{lof}{\contentsline {figure}{\numberline {7}{\ignorespaces H$_{10}$, cc-pvqz: Comparison between the near FCI and corrected near FCI energies and the estimated exact one. }}{8}{figure.7}}
|
|
\newlabel{fig:H10_vqz}{{7}{8}{H$_{10}$, cc-pvqz: Comparison between the near FCI and corrected near FCI energies and the estimated exact one}{figure.7}{}}
|
|
\newlabel{LastPage}{{}{8}{}{}{}}
|