diff --git a/Manuscript/G2-srDFT.pdf b/Manuscript/G2-srDFT.pdf index a4388f6..be4398c 100644 Binary files a/Manuscript/G2-srDFT.pdf and b/Manuscript/G2-srDFT.pdf differ diff --git a/Manuscript/G2-srDFT.tex b/Manuscript/G2-srDFT.tex index 54b9bda..14f0ff7 100644 --- a/Manuscript/G2-srDFT.tex +++ b/Manuscript/G2-srDFT.tex @@ -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 & \\ \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 %%%%%%%%& ex (FC)CCSD(T)+LDA & 214.7 & 221.9 & ----- & ----- & \\ %%%%%%%%& ex (FC)CCSD(T)+PBE & 223.4 & 224.3 & ----- & ----- & \\ - & ex (FC)CCSD(T)+LDA-val & 216.3 & 224.8 & ----- & ----- & \\ - & ex (FC)CCSD(T)+PBE-val & 225.9 & 226.7 & ----- & ----- & \\ + & ex (FC)CCSD(T)+LDA-val & 216.3 & 224.8 & 227.2 & 227.8 & \\ + & ex (FC)CCSD(T)+PBE-val & 225.9 & 226.7 & 227.5 & 227.8 & \\ \hline %%%%%%%%& ex (FC)FCI+LDA & 216.4 & 223.1 & 227.9 & 228.1 & \\ %%%%%%%%& 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-val & 117.2 & 119.4 & 120.3 &120.4 & \\ \hline - & (FC)CCSD(T) & 103.9 & 113.6 & ----- & ----- & 120.5 \\ - & ex (FC)CCSD(T)+LDA-val & 110.6 & 117.2 & ----- & ----- & \\ - & ex (FC)CCSD(T)+PBE-val & 115.1 & 118.0 & ----- & ----- & \\ + & (FC)CCSD(T) & 103.9 & 113.6 & 117.1 & 118.6 & 120.0 \\ + & ex (FC)CCSD(T)+LDA-val & 110.6 & 117.2 & 119.2 & 119.8 & \\ + & ex (FC)CCSD(T)+PBE-val & 115.1 & 118.0 & 119.3 & 119.8 & \\ \hline %%%%%%%% & exFCI+PBE-on-top & 115.0 & 118.4 & 120.2 & & \\ %%%%%%%% & 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-val & 32.4 & 37.8 & 38.8 & 38.8 & \\ \hline - & (FC)CCSD(T) & 25.7 & 34.4 & ----- & ----- & 38.8 \\ - & ex (FC)CCSD(T)+LDA-val & 29.2 & 36.5 & ----- & ----- & \\ - & ex (FC)CCSD(T)+PBE-val & 31.5 & 37.1 & ----- & ----- & \\ + & (FC)CCSD(T) & 25.7 & 34.4 & 36.5 & 37.4 & 38.2 \\ + & ex (FC)CCSD(T)+LDA-val & 29.2 & 36.5 & 37.2 & 38.2 & \\ + & ex (FC)CCSD(T)+PBE-val & 31.5 & 37.1 & 37.8 & 38.2 & \\ \end{tabular} \end{ruledtabular}