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Emmanuel Giner 2019-04-15 20:43:04 +02:00
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Manuscript/G2-srDFT.tex
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@ -179,7 +179,7 @@ Therefore, a number of approximate RS-DFT schemes have been developed using eith
%Therefore, a number of approximate RS-DFT schemes have been developed using either single-reference WFT approaches (such as M{\o}ller-Plesset perturbation theory\cite{AngGerSavTou-PRA-05}, coupled cluster\cite{GolWerSto-PCCP-05}, random-phase approximations\cite{TouGerJanSavAng-PRL-09,JanHenScu-JCP-09}) or multi-reference WFT approaches (such as multi-reference CI\cite{LeiStoWerSav-CPL-97}, multiconfiguration self-consistent field\cite{FroTouJen-JCP-07}, multi-reference perturbation theory\cite{FroCimJen-PRA-10}, density-matrix renormalization group\cite{HedKneKieJenRei-JCP-15}, selected CI\cite{FerGinTou-JCP-18}). %Therefore, a number of approximate RS-DFT schemes have been developed using either single-reference WFT approaches (such as M{\o}ller-Plesset perturbation theory\cite{AngGerSavTou-PRA-05}, coupled cluster\cite{GolWerSto-PCCP-05}, random-phase approximations\cite{TouGerJanSavAng-PRL-09,JanHenScu-JCP-09}) or multi-reference WFT approaches (such as multi-reference CI\cite{LeiStoWerSav-CPL-97}, multiconfiguration self-consistent field\cite{FroTouJen-JCP-07}, multi-reference perturbation theory\cite{FroCimJen-PRA-10}, density-matrix renormalization group\cite{HedKneKieJenRei-JCP-15}, selected CI\cite{FerGinTou-JCP-18}).
\manu{Very recently, a step forward has been performed by some of the present authors thanks to a density-based basis set correction which merges WFT and RS-DFT\cite{GinPraFerAssSavTou-JCP-18}. } \manu{Very recently, a step forward has been performed by some of the present authors thanks to a density-based basis set correction which merges WFT and RS-DFT\cite{GinPraFerAssSavTou-JCP-18}. }
The present work proposes an extension of \manu{this new theory to CCSD(T)} together with the first numerical tests on molecular systems. The present work proposes an extension of \manu{this new theory with an application to CCSD(T)} together with the first numerical tests on molecular systems.
Unless otherwise stated, atomic units are used. Unless otherwise stated, atomic units are used.
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