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Pierre-Francois Loos 2019-05-23 21:50:23 +02:00
parent 91820bae99
commit 4b4378c865
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Manuscript/Ex-srDFT.tex
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@ -513,9 +513,9 @@ The FC density-based correction is used consistently with the FC approximation i
& 0.12 & 0.03 & 0.12 & 0.03
\\ \\
& $1\,^{1}\Sigma_{g}^{+} \ra 1\,^{3}\Sigma_{u}^{-}$ & Val. & 7.09 & 0.05 & -0.01 & $1\,^{1}\Sigma_{g}^{+} \ra 1\,^{3}\Sigma_{u}^{-}$ & Val. & 7.09 & 0.05 & -0.01
& & 0.00 & 0.08 & 0.00
& & 0.04 & 0.16 & 0.04
& & 0.04 & 0.14 & 0.04
\\ \\
\\ \\
Ethylene & $1\,^{1}A_{1g} \ra 1\,^{1}B_{3u}$ & Ryd. & 7.43 & -0.12 & -0.04 Ethylene & $1\,^{1}A_{1g} \ra 1\,^{1}B_{3u}$ & Ryd. & 7.43 & -0.12 & -0.04