152 lines
9.5 KiB
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152 lines
9.5 KiB
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\citation{Kutzelnigg91,Termath91,Klopper91a,Klopper91b,Noga94}
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\citation{Persson96,Persson97,May04,Tenno04b,Tew05,May05}
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\@writefile{toc}{\contentsline {section}{\numberline {I}Introduction}{1}{section*.3}}
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\@writefile{toc}{\contentsline {section}{\numberline {II}Ansatz}{1}{section*.4}}
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\citation{Garniron18}
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\citation{SzaboBook}
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\citation{Kutzelnigg91,Klopper92,Persson97,Klopper02,Manby03,Werner03,Klopper04,Tenno04a,Tenno04b,May05,Manby06,Tenno07,Komornicki11,Reine12,GG16}
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\citation{Kutzelnigg91,Klopper02,Valeev04,Werner07,Hattig12}
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\citation{Garniron17b}
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\@writefile{toc}{\contentsline {section}{\numberline {IV}Matrix elements}{2}{section*.6}}
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\@writefile{lof}{\contentsline {figure}{\numberline {1}{\ignorespaces Schematic representation of the various orbital spaces and their notation. The arrows represent the three types of excited determinants contributing to the dressing: the pure doubles $\ket *{_{ij}^{\alpha \beta }}$ (green), the mixed doubles $\ket *{_{ij}^{a \beta }}$ (magenta) and the pure singles $\ket *{_{i}^{\alpha }}$ (orange).}}{2}{figure.1}}
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\newlabel{fig:CBS}{{1}{2}{Schematic representation of the various orbital spaces and their notation. The arrows represent the three types of excited determinants contributing to the dressing: the pure doubles $\ket *{_{ij}^{\alpha \beta }}$ (green), the mixed doubles $\ket *{_{ij}^{a \beta }}$ (magenta) and the pure singles $\ket *{_{i}^{\alpha }}$ (orange)}{figure.1}{}}
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\citation{Kutzelnigg91}
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\citation{Tenno04a}
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\citation{Persson96,Persson97,May04,Tenno04b,Tew05,May05}
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\citation{Puchalski09}
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\citation{Sharkey11}
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\citation{Bubin11}
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\@writefile{toc}{\contentsline {section}{\numberline {}Acknowledgments}{3}{section*.10}}
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\@writefile{lot}{\contentsline {table}{\numberline {I}{\ignorespaces FCI-F12, CIPSI and FCI total ground-state energy of the neutral atoms for $Z = 2$ to $10$ calculated with Dunning's cc-pVXZ basis set. The corresponding cc-pVXZ\_OPTRI auxiliary basis is used as CABS.}}{3}{table.1}}
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\newlabel{tab:atoms}{{I}{3}{FCI-F12, CIPSI and FCI total ground-state energy of the neutral atoms for $Z = 2$ to $10$ calculated with Dunning's cc-pVXZ basis set. The corresponding cc-pVXZ\_OPTRI auxiliary basis is used as CABS}{table.1}{}}
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\bibcite{Persson96}{{7}{1996}{{Persson\ and\ Taylor}}{{}}}
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\bibcite{May04}{{9}{2004}{{May\ and\ Manby}}{{}}}
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\bibcite{Tenno04b}{{10}{2004{}}{{Ten-no}}{{}}}
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\bibcite{Tew05}{{11}{2005}{{Tew\ and\ Klopper}}{{}}}
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\bibcite{May05}{{12}{2005}{{May\ \emph {et~al.}}}{{May, Valeev, Polly,\ and\ Manby}}}
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\bibcite{Tenno12a}{{13}{2012}{{Ten-no\ and\ Noga}}{{}}}
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\bibcite{Tenno12b}{{14}{2012}{{Ten-no}}{{}}}
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\bibcite{Hattig12}{{15}{2012}{{Hattig\ \emph {et~al.}}}{{Hattig, Klopper, Kohn,\ and\ Tew}}}
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\bibcite{Kong12}{{16}{2012}{{Kong, Bischo,\ and\ Valeev}}{{}}}
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\bibcite{Tew07b}{{17}{2007}{{Tew\ \emph {et~al.}}}{{Tew, Klopper, Neiss,\ and\ Hattig}}}
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\bibcite{Huron73}{{18}{1973}{{Huron, Malrieu,\ and\ Rancurel}}{{}}}
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\bibcite{Evangelisti83}{{19}{1983}{{Evangelisti, Daudey,\ and\ Malrieu}}{{}}}
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\bibcite{Heully92}{{20}{1992}{{Heuilly\ and\ Malrieu}}{{}}}
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\bibcite{Garniron18}{{21}{2018}{{Garniron\ \emph {et~al.}}}{{Garniron, Scemama, Giner, Caffarel,\ and\ Loos}}}
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\bibcite{Giner13}{{22}{2013}{{Giner, Scemama,\ and\ Caffarel}}{{}}}
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\bibcite{Scemama13a}{{23}{2013{}}{{Scemama\ \emph {et~al.}}}{{Scemama, Caffarel, Oseret,\ and\ Jalby}}}
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\bibcite{Scemama13b}{{24}{2013{}}{{Scemama\ \emph {et~al.}}}{{Scemama, Caffarel, Oseret,\ and\ Jalby}}}
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\bibcite{Scemama14}{{25}{2014}{{Scemama\ \emph {et~al.}}}{{Scemama, Applencourt, Giner,\ and\ Caffarel}}}
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\bibcite{Giner15}{{26}{2015}{{Giner, Scemama,\ and\ Caffarel}}{{}}}
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\bibcite{Caffarel16}{{27}{2016}{{Caffarel\ \emph {et~al.}}}{{Caffarel, Applencourt, Giner,\ and\ Scemama}}}
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\bibcite{Loos18b}{{28}{2018}{{Loos\ \emph {et~al.}}}{{Loos, Scemama, Blondel, Garniron, Caffarel,\ and\ Jacquemin}}}
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\bibcite{Loos19}{{29}{2019}{{Loos\ \emph {et~al.}}}{{Loos, Boggio-Pasqua, Scemama, Caffarel,\ and\ Jacquemin}}}
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\bibcite{Shiozaki11}{{30}{2011}{{Shiozaki, Knizia,\ and\ Werner}}{{}}}
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\bibcite{Kato51}{{31}{1951}{{Kato}}{{}}}
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\bibcite{Kato57}{{32}{1957}{{Kato}}{{}}}
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\bibcite{Pack66}{{33}{1966}{{Pack\ and\ {Byers Brown}}}{{}}}
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\bibcite{Morgan93}{{34}{1993}{{{Morgan III}\ and\ Kutzelnigg}}{{}}}
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\bibcite{Tenno04a}{{35}{2004{}}{{Ten-no}}{{}}}
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\bibcite{SzaboBook}{{36}{1989}{{Szabo\ and\ Ostlund}}{{}}}
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\bibcite{Klopper92}{{37}{1992}{{Klopper\ and\ Rohse}}{{}}}
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\bibcite{Klopper02}{{38}{2002}{{Klopper\ and\ Samson}}{{}}}
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\bibcite{Manby06}{{42}{2006}{{Manby\ \emph {et~al.}}}{{Manby, Werner, Adler,\ and\ May}}}
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\bibcite{Komornicki11}{{44}{2011}{{Komornicki\ and\ King}}{{}}}
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\bibcite{Reine12}{{45}{2012}{{Reine, Helgaker,\ and\ Lind}}{{}}}
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\bibcite{GG16}{{46}{2016}{{Barca\ and\ Gill}}{{}}}
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\bibcite{3ERI1}{{47}{2016}{{Barca, Loos,\ and\ Gill}}{{}}}
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\bibcite{3ERI2}{{48}{tion}{{Barca, Loos,\ and\ Gill}}{{}}}
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\bibcite{4eRR}{{49}{ress}{{Barca\ and\ Loos}}{{}}}
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\bibcite{IntF12}{{50}{2017}{{Barca\ and\ Loos}}{{}}}
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\bibcite{Valeev04}{{51}{2004}{{Valeev}}{{}}}
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\bibcite{Werner07}{{52}{2007}{{Werner, Adler,\ and\ Manby}}{{}}}
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\bibcite{Garniron17b}{{53}{2017}{{Garniron\ \emph {et~al.}}}{{Garniron, Scemama, Loos,\ and\ Caffarel}}}
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\bibcite{Nakashima07}{{54}{2007}{{Nakashima\ and\ Nakatsuji}}{{}}}
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\bibcite{Puchalski09}{{55}{2009}{{Puchalski, Kedziera,\ and\ Pachucki}}{{}}}
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\bibcite{Sharkey11}{{56}{2011}{{Sharkey\ and\ Adamowicz}}{{}}}
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\bibcite{Bubin11}{{57}{2011}{{Bubin\ and\ Adamowicz}}{{}}}
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\bibcite{Sharkey10}{{58}{2010}{{Sharkey, Bubin,\ and\ Adamowicz}}{{}}}
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\bibcite{Klopper10}{{59}{2010}{{Klopper\ \emph {et~al.}}}{{Klopper, Bachorz, Tew,\ and\ Hattig}}}
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\bibcite{Pachucki10}{{60}{2010}{{Pachucki}}{{}}}
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\bibcite{Cleland12}{{61}{2012}{{Cleland\ \emph {et~al.}}}{{Cleland, Booth, Overy,\ and\ Alavi}}}
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\bibcite{AlmoraDiaz14}{{62}{2014}{{Almora-Diaz}}{{}}}
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\bibcite{Yousaf08}{{63}{2008}{{Yousaf\ and\ Peterson}}{{}}}
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\@writefile{lot}{\contentsline {table}{\numberline {II}{\ignorespaces CIPSI, FCI-F12 i-FCIQMC and FCI total ground-state energy of the \ce {H2}, \ce {F2} and \ce {H2)} molecules at experimental geometry with Dunning's cc-pVXZ basis set. The corresponding cc-pVXZ\_OPTRI auxiliary basis is used as CABS.}}{4}{table.2}}
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\newlabel{tab:molecules}{{II}{4}{CIPSI, FCI-F12 i-FCIQMC and FCI total ground-state energy of the \ce {H2}, \ce {F2} and \ce {H2)} molecules at experimental geometry with Dunning's cc-pVXZ basis set. The corresponding cc-pVXZ\_OPTRI auxiliary basis is used as CABS}{table.2}{}}
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