160 lines
9.9 KiB
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160 lines
9.9 KiB
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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 term: 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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\@writefile{lot}{\contentsline {table}{\numberline {I}{\ignorespaces FCI-F12 and FCI total ground-state energy of the neutral atoms for $Z = 2$ to $10$ calculated with Dunning's cc-pCVXZ and cc-pVXZ basis sets. \leavevmode {\color {red}The corresponding cc-pVXZ\_OPTRI or cc-pCVXZ\_OPTRI auxiliary basis is used as CABS.}}}{3}{table.1}}
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\newlabel{tab:atoms}{{I}{3}{FCI-F12 and FCI total ground-state energy of the neutral atoms for $Z = 2$ to $10$ calculated with Dunning's cc-pCVXZ and cc-pVXZ basis sets. \alert {The corresponding cc-pVXZ\_OPTRI or cc-pCVXZ\_OPTRI auxiliary basis is used as CABS.}}{table.1}{}}
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\bibcite{Klopper91a}{{4}{1991}{{Klopper\ and\ Kutzelnigg}}{{}}}
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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{Malrieu85}{{18}{1985}{{Malrieu, Durand,\ and\ Daudey}}{{}}}
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\bibcite{Heully92}{{19}{1992}{{Heuilly\ and\ Malrieu}}{{}}}
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\bibcite{Garniron18}{{20}{2018}{{Garniron\ \emph {et~al.}}}{{Garniron, Scemama, Giner, Caffarel,\ and\ Loos}}}
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\bibcite{Knowles84}{{21}{1984}{{Knowles\ and\ Handy}}{{}}}
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\bibcite{Knowles89}{{22}{1989}{{Knowles\ and\ Handy}}{{}}}
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\bibcite{Huron73}{{23}{1973}{{Huron, Malrieu,\ and\ Rancurel}}{{}}}
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\bibcite{Giner13}{{24}{2013}{{Giner, Scemama,\ and\ Caffarel}}{{}}}
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\bibcite{Giner15}{{25}{2015}{{Giner, Scemama,\ and\ Caffarel}}{{}}}
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\bibcite{Caffarel16}{{26}{2016}{{Caffarel\ \emph {et~al.}}}{{Caffarel, Applencourt, Giner,\ and\ Scemama}}}
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\bibcite{Scemama18a}{{27}{2018}{{Scemama\ \emph {et~al.}}}{{Scemama, Garniron, Caffarel,\ and\ Loos}}}
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\bibcite{Scemama18b}{{28}{ress}{{Scemama\ \emph {et~al.}}}{{Scemama, Benali, Jacquemin, Caffarel,\ and\ Loos}}}
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\bibcite{Loos18b}{{29}{2018}{{Loos\ \emph {et~al.}}}{{Loos, Scemama, Blondel, Garniron, Caffarel,\ and\ Jacquemin}}}
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\bibcite{Loos19}{{30}{2019}{{Loos\ \emph {et~al.}}}{{Loos, Boggio-Pasqua, Scemama, Caffarel,\ and\ Jacquemin}}}
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\bibcite{Shiozaki11}{{31}{2011}{{Shiozaki, Knizia,\ and\ Werner}}{{}}}
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\bibcite{Kato51}{{32}{1951}{{Kato}}{{}}}
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\bibcite{Kato57}{{33}{1957}{{Kato}}{{}}}
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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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\bibcite{AlmoraDiaz14}{{66}{2014}{{Almora-Diaz}}{{}}}
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\bibcite{Yousaf08}{{67}{2008}{{Yousaf\ and\ Peterson}}{{}}}
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