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updated H2 stretch results

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Pierre-Francois Loos 2020-05-04 15:39:44 +02:00
parent 8b4ea9b4f4
commit 1263ba8e30
1 changed files with 9 additions and 9 deletions
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Manuscript/FarDFT.tex
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@ -990,15 +990,15 @@ Excitation energies (in eV) associated with the lowest double excitation of \ce{
\cline{1-2} \cline{3-4} \cline{1-2} \cline{3-4}
\tabc{x} & \tabc{c} & $\ew{} = 0$ & $\ew{} = 1/3$ & LIM & MOM \\ \tabc{x} & \tabc{c} & $\ew{} = 0$ & $\ew{} = 1/3$ & LIM & MOM \\
\hline \hline
HF & & 19.09 & 6.59* & 12.92 & 6.52 \\ HF & & 19.09 & 8.82 & 12.92 & 6.52 \\
HF & VWN5 & 19.40 & 6.54* & 13.02 & 6.49 \\ HF & VWN5 & 19.40 & 8.81 & 13.02 & 6.49 \\
HF & eVWN5 & 19.59* & 6.72* & 13.11 & \fnm[1] \\ HF & eVWN5 & 19.59 & 8.95 & 13.11 & \fnm[1] \\
S & & 5.31 & 5.60* & 5.46 & 5.56 \\ S & & 5.31 & 5.67 & 5.46 & 5.56 \\
S & VWN5 & 5.34 & 5.57* & 5.46 & 5.52 \\ S & VWN5 & 5.34 & 5.64 & 5.46 & 5.52 \\
S & eVWN5 & 5.53* & 5.76* & 5.56 & 5.72 \\ S & eVWN5 & 5.53 & 5.79 & 5.56 & 5.72 \\
CC-S & & 5.55 & 5.56* & 5.56 & 5.56 \\ CC-S & & 5.55 & 5.72 & 5.56 & 5.56 \\
CC-S & VWN5 & 5.58 & 5.53* & 5.57 & 5.52 \\ CC-S & VWN5 & 5.58 & 5.69 & 5.57 & 5.52 \\
CC-S & eVWN5 & 5.77* & 5.72* & 5.66 & 5.72 \\ CC-S & eVWN5 & 5.77 & 5.84 & 5.66 & 5.72 \\
\hline \hline
B & LYP & & & & 5.28 \\ B & LYP & & & & 5.28 \\
B3 & LYP & & & & 5.55 \\ B3 & LYP & & & & 5.55 \\