loos/srDFT_G2
1
0
Fork 0
Code Issues Pull Requests Releases Wiki Activity

commit b4 erase table

Browse Source
This commit is contained in:
Pierre-Francois Loos 2019-04-06 00:21:18 +02:00
parent b3e7ff3b6b
commit a56c43cc92
1 changed files with 2 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

3
Manuscript/G2-srDFT.tex
View File

@ -727,7 +727,7 @@ Also, the values obtained with the largest basis sets tends to converge toward a
\ce{C2} & exFCI\fnm[1] & 132.0 & 140.3 & 143.6 & 144.7 & 145.7 \\
(cc-pVXZ) & exFCI+LDA\fnm[1] & 141.3 & 145.1 & 146.4 & 146.3 & \\
& exFCI+PBE\fnm[1] & 145.7 & 145.7 & 146.3 & 146.2 & \\
& CCSD(T)\fnm[1] & 129.2 & 139.1 & 143.0 & 144.2 & 145.4 \\
& CCSD(T)\fnm[1] & 129.2 & 139.1 & 143.0 & 144.2 & \\
& CCSD(T)+LDA\fnm[1] & 139.1 & 143.7 & 145.9 & 145.9 & \\
& CCSD(T)+PBE\fnm[1] & 142.8 & 144.2 & 145.9 & 145.8 & \\
\\
@ -796,7 +796,6 @@ Also, the values obtained with the largest basis sets tends to converge toward a
& CCSD(T)\fnm[1] & 25.7 & 34.4 & 36.5 & 37.4 & 38.2 \\
& CCSD(T)+LDA\fnm[1] & 29.2 & 36.5 & 37.2 & 38.2 & \\
& CCSD(T)+PBE\fnm[1] & 31.5 & 37.1 & 37.8 & 38.2 & \\
\end{tabular}
\end{ruledtabular}
\fnt[1]{Fronzen core calculations. Only valence spinorbitals are taken into account in the basis set correction.}