diff --git a/Manuscript/G2-srDFT.pdf b/Manuscript/G2-srDFT.pdf index b86018b..8ec9830 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 853d731..c6f9622 100644 --- a/Manuscript/G2-srDFT.tex +++ b/Manuscript/G2-srDFT.tex @@ -591,19 +591,27 @@ 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 &----- & \\ \hline - & exFCI+PBE-on-top & 115.0 & 118.4 & 120.2 & & \\ - & exFCI+PBE-on-top-val & 116.1 & 119.4 & 120.5 & & \\ + & (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 & ----- & ----- & \\ + \hline + %%%%%%%% & exFCI+PBE-on-top & 115.0 & 118.4 & 120.2 & & \\ + %%%%%%%% & exFCI+PBE-on-top-val & 116.1 & 119.4 & 120.5 & & \\ \\ - \ce{F2} & exFCI & 27.5 & 35.4 & 37.5 & 38.0 & 38.2\fnm[2] \\ + \ce{F2} & exFCI & 26.7 & ---- & ---- & ---- & ---- \\ \hline - & exFCI+LDA & 30.8 & 37.0 & 38.7 & 38.7 & \\ - & exFCI+LDA-val & 31.1 & 37.5 & 38.8 & 38.8 & \\ + %%%%%%%% & exFCI+LDA & 30.8 & 37.0 & 38.7 & 38.7 & \\ + & exFCI+LDA-val & 30.4 & ---- & ---- & ---- & \\ + %%%%%%%% \hline + %%%%%%%% & exFCI+PBE & 33.3 & 37.8 & 38.8 & 38.7 & \\ + & exFCI+PBE -val & 33.1 & ---- & ---- & ---- & \\ \hline - & exFCI+PBE & 33.3 & 37.8 & 38.8 & 38.7 & \\ - & exFCI+PBE -val & 33.7 & 38.2 & 39.0 & 38.8 & \\ + %%%%%%%% & 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 - & 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 & \\ + & (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 & ----- & ----- & \\ \end{tabular} \end{ruledtabular}