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finished table for manuscript

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eginer 2019-04-02 11:07:57 +02:00
parent 4a7467cdac
commit 660c637311
2 changed files with 9 additions and 9 deletions
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Manuscript/G2-srDFT.pdf
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Manuscript/G2-srDFT.tex
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@ -533,12 +533,12 @@ Regarding the wave function chosen to define the local range-separation paramete
& exFCI+PBE-on-top-val & 224.8 & 226.7 & 228.3 & 228.3 & \\ & exFCI+PBE-on-top-val & 224.8 & 226.7 & 228.3 & 228.3 & \\
\hline \hline
\hline \hline
& (FC)CCSD(T) & 199.9 & 216.3 & ----- & ----- & 227.4 \\ & (FC)CCSD(T) & 199.9 & 216.3 & 222.8 & 225.0 & 227.2 \\
\hline \hline
%%%%%%%%& ex (FC)CCSD(T)+LDA & 214.7 & 221.9 & ----- & ----- & \\ %%%%%%%%& ex (FC)CCSD(T)+LDA & 214.7 & 221.9 & ----- & ----- & \\
%%%%%%%%& ex (FC)CCSD(T)+PBE & 223.4 & 224.3 & ----- & ----- & \\ %%%%%%%%& ex (FC)CCSD(T)+PBE & 223.4 & 224.3 & ----- & ----- & \\
& ex (FC)CCSD(T)+LDA-val & 216.3 & 224.8 & ----- & ----- & \\ & ex (FC)CCSD(T)+LDA-val & 216.3 & 224.8 & 227.2 & 227.8 & \\
& ex (FC)CCSD(T)+PBE-val & 225.9 & 226.7 & ----- & ----- & \\ & ex (FC)CCSD(T)+PBE-val & 225.9 & 226.7 & 227.5 & 227.8 & \\
\hline \hline
%%%%%%%%& ex (FC)FCI+LDA & 216.4 & 223.1 & 227.9 & 228.1 & \\ %%%%%%%%& ex (FC)FCI+LDA & 216.4 & 223.1 & 227.9 & 228.1 & \\
%%%%%%%%& ex (FC)FCI+PBE & 225.4 & 225.6 & 228.2 & 227.9 & \\ %%%%%%%%& ex (FC)FCI+PBE & 225.4 & 225.6 & 228.2 & 227.9 & \\
@ -591,9 +591,9 @@ Regarding the wave function chosen to define the local range-separation paramete
%%%%%%%% & exFCI+PBE & 115.9 & 118.4 & 120.1 &119.9 & \\ %%%%%%%% & exFCI+PBE & 115.9 & 118.4 & 120.1 &119.9 & \\
& exFCI+PBE-val & 117.2 & 119.4 & 120.3 &120.4 & \\ & exFCI+PBE-val & 117.2 & 119.4 & 120.3 &120.4 & \\
\hline \hline
& (FC)CCSD(T) & 103.9 & 113.6 & ----- & ----- & 120.5 \\ & (FC)CCSD(T) & 103.9 & 113.6 & 117.1 & 118.6 & 120.0 \\
& ex (FC)CCSD(T)+LDA-val & 110.6 & 117.2 & ----- & ----- & \\ & ex (FC)CCSD(T)+LDA-val & 110.6 & 117.2 & 119.2 & 119.8 & \\
& ex (FC)CCSD(T)+PBE-val & 115.1 & 118.0 & ----- & ----- & \\ & ex (FC)CCSD(T)+PBE-val & 115.1 & 118.0 & 119.3 & 119.8 & \\
\hline \hline
%%%%%%%% & exFCI+PBE-on-top & 115.0 & 118.4 & 120.2 & & \\ %%%%%%%% & exFCI+PBE-on-top & 115.0 & 118.4 & 120.2 & & \\
%%%%%%%% & exFCI+PBE-on-top-val & 116.1 & 119.4 & 120.5 & & \\ %%%%%%%% & exFCI+PBE-on-top-val & 116.1 & 119.4 & 120.5 & & \\
@ -611,9 +611,9 @@ Regarding the wave function chosen to define the local range-separation paramete
%%%%%%%% & exFCI+PBE-on-top& 32.1 & 37.5 & 38.7 & 38.7 & \\ %%%%%%%% & exFCI+PBE-on-top& 32.1 & 37.5 & 38.7 & 38.7 & \\
%%%%%%%% & exFCI+PBE-on-top-val & 32.4 & 37.8 & 38.8 & 38.8 & \\ %%%%%%%% & exFCI+PBE-on-top-val & 32.4 & 37.8 & 38.8 & 38.8 & \\
\hline \hline
& (FC)CCSD(T) & 25.7 & 34.4 & ----- & ----- & 38.8 \\ & (FC)CCSD(T) & 25.7 & 34.4 & 36.5 & 37.4 & 38.2 \\
& ex (FC)CCSD(T)+LDA-val & 29.2 & 36.5 & ----- & ----- & \\ & ex (FC)CCSD(T)+LDA-val & 29.2 & 36.5 & 37.2 & 38.2 & \\
& ex (FC)CCSD(T)+PBE-val & 31.5 & 37.1 & ----- & ----- & \\ & ex (FC)CCSD(T)+PBE-val & 31.5 & 37.1 & 37.8 & 38.2 & \\
\end{tabular} \end{tabular}
\end{ruledtabular} \end{ruledtabular}