diff --git a/Manuscript/G2-srDFT.pdf b/Manuscript/G2-srDFT.pdf index 7a6c711..a4388f6 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 01b5b41..54b9bda 100644 --- a/Manuscript/G2-srDFT.tex +++ b/Manuscript/G2-srDFT.tex @@ -598,13 +598,15 @@ Regarding the wave function chosen to define the local range-separation paramete %%%%%%%% & exFCI+PBE-on-top & 115.0 & 118.4 & 120.2 & & \\ %%%%%%%% & exFCI+PBE-on-top-val & 116.1 & 119.4 & 120.5 & & \\ \\ - \ce{F2} & exFCI & 26.7 & ---- & ---- & ---- & ---- \\ + Molecule & Method & \tabc{cc-pVDZ} & \tabc{cc-pVTZ} & \tabc{cc-pVQZ} & \tabc{cc-pV5Z} & \tabc{$E_{QZ5Z}^{\infty}$} + \\ + \ce{F2} & exFCI & 26.7 & 35.1 & 37.1 & 38.0 & 39.0 \\ \hline %%%%%%%% & exFCI+LDA & 30.8 & 37.0 & 38.7 & 38.7 & \\ - & exFCI+LDA-val & 30.4 & ---- & ---- & ---- & \\ + & exFCI+LDA-val & 30.4 & 37.2 & 38.4 & 38.9 & \\ %%%%%%%% \hline %%%%%%%% & exFCI+PBE & 33.3 & 37.8 & 38.8 & 38.7 & \\ - & exFCI+PBE -val & 33.1 & ---- & ---- & ---- & \\ + & exFCI+PBE -val & 33.1 & 37.9 & 38.5 & 38.9 & \\ \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 & \\