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Pierre-Francois Loos 2020-05-04 19:18:39 +02:00
parent 1263ba8e30
commit 4ed4c6f130
1 changed files with 9 additions and 9 deletions
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Manuscript/FarDFT.tex
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@ -1054,15 +1054,15 @@ Excitation energies (in hartree) associated with the lowest double excitation of
\cline{1-2} \cline{3-4}
\tabc{x} & \tabc{c} & $\ew{} = 0$ & $\ew{} = 1/3$ & LIM & MOM \\
\hline
HF & & 1.874 & 2.212* & 2.080 & 2.142 \\
HF & VWN5 & 1.988 & 2.260* & 2.153 & 2.193 \\
HF & eVWN5 & 2.000* & 2.264* & 2.156 & 2.196* \\
S & & 1.062 & 2.056* & 1.547 & 2.030 \\
S & VWN5 & 1.163 & 2.104* & 1.612 & 2.079 \\
S & eVWN5 & 1.174* & 2.108* & 1.615 & 2.083* \\
CC-S & & 1.996 & 2.044* & 1.988 & 2.030 \\
CC-S & VWN5 & 2.107 & 2.097* & 2.060 & 2.079 \\
CC-S & eVWN5 & 2.118* & 2.100* & 2.063 & 2.083* \\
HF & & 1.874 & 2.212 & 2.080 & 2.142 \\
HF & VWN5 & 1.988 & 2.260 & 2.153 & 2.193 \\
HF & eVWN5 & 2.000 & 2.265 & 2.156 & 2.196 \\
S & & 1.062 & 2.056 & 1.547 & 2.030 \\
S & VWN5 & 1.163 & 2.104 & 1.612 & 2.079 \\
S & eVWN5 & 1.174 & 2.109 & 1.615 & 2.083 \\
CC-S & & 1.996 & 2.264 & 1.988 & 2.030 \\
CC-S & VWN5 & 2.107 & 2.318 & 2.060 & 2.079 \\
CC-S & eVWN5 & 2.108 & 2.323 & 2.063 & 2.083 \\
\hline
B & LYP & & & & 2.147 \\
B3 & LYP & & & & 2.150 \\