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corrected PBE for C2

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Emmanuel Giner 2019-03-15 10:52:00 +01:00
parent 73bbf81569
commit 6a8a4a4a72
1 changed files with 4 additions and 4 deletions
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Manuscript/G2-srDFT.tex
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@ -106,10 +106,10 @@ The
%\hline
& FCIQMC & CIPSI & FCIQMC+F$_{12}$ & CIPSI+LDA$_{\text{HF}}$ & CIPSI+LDA${_\text{HF-val}}$ & CIPSI+PBE$_{\text{HF}}$ & CIPSI+PBE${_\text{HF-val}}$ \\
\hline
V2Z & 130.0 & 132.0 & 142.3 & 141.9 & 142.9 & 142.7 & 145.6 \\
V3Z & 139.9 & 140.3 & 145.3 & 142.8 & 145.5 & 142.7 & 146.7 \\
V4Z & - & 143.6 & - & 145.8 & 146.2 & 145.3 & 147.0 \\
V5Z & - & 144.3 & - & 145.1 & 146.1 & 144.9 & 146.5 \\
V2Z & 130.0 & 132.0 & 142.3 & 141.9 & 142.9 & 142.7 & 143.3 \\
V3Z & 139.9 & 140.3 & 145.3 & 142.8 & 145.5 & 142.7 & 144.7 \\
V4Z & - & 143.6 & - & 145.8 & 146.2 & 145.3 & 145.7 \\
V5Z & - & 144.3 & - & 145.1 & 146.1 & 144.9 & 145.6 \\
%\hline
& \multicolumn{5}{c}{Estimated exact} \\
& \multicolumn{5}{c}{ 146.9} \\