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updated tab for C2

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Emmanuel Giner 2019-04-05 11:52:27 +02:00
parent 25322128fa
commit 2b679ac766
1 changed files with 3 additions and 3 deletions
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Manuscript/G2-srDFT.tex
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@ -702,10 +702,10 @@ Also, the values obtained with the largest basis sets tends to converge toward a
%\ce{C2} & (FC)FCIQMC & 130.0(1) & 139.9(3) & 143.3(2) & & 144.9 \\ %\ce{C2} & (FC)FCIQMC & 130.0(1) & 139.9(3) & 143.3(2) & & 144.9 \\
% & (FC)FCIQMC+F12 & 142.3 & 145.3 & & & \\ % & (FC)FCIQMC+F12 & 142.3 & 145.3 & & & \\
\hline \hline
\ce{C2} & ex (FC)FCI & 132.0 & 140.3 & 143.6 & 144.3 & 144.9 \\ \ce{C2} & ex (FC)FCI & 132.0 & 140.3 & 143.6 & 144.7 & 145.7 \\
\hline \hline
& ex (FC)FCI+LDA-val & 143.0 & 145.4 & 146.4 & 146.0 & \\ & ex (FC)FCI+LDA-val & 141.3 & 145.1 & 146.4 & 146.3 & \\
& ex (FC)FCI+PBE-val & 147.4 & 146.1 & 146.4 & 145.9 & \\ & ex (FC)FCI+PBE-val & 145.7 & 145.7 & 146.3 & 146.2 & \\
\hline \hline
\hline \hline
& (FC)CCSD(T) & 129.2 & 139.1 & 143.0 & 144.2 & 145.4 \\ & (FC)CCSD(T) & 129.2 & 139.1 & 143.0 & 144.2 & 145.4 \\