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Pierre-Francois Loos 2019-05-19 13:59:48 +02:00
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49
Manuscript/Ex-srDFT.tex
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@ -270,25 +270,36 @@ In the present study, we rely on the recently proposed short-range density-funct
& 0.06 & 0.03 & 0.04
\\
\\
Carbon dimer & $1\,^{1}\Sigma_g^+ \ra 1\,^{1}\Delta_g$ & 2.06 & 0.15 & 0.03 & 0.00
& & &
& & &
& & &
\\
& $1\,^{1}\Sigma_g^+ \ra 2\,^{1}\Sigma_g^+$ & 2.40 & 0.10 & 0.02 & 0.00
& & &
& & &
& & &
\\
\\
Hydrogen sulfide & $1\,^{1}A_1 \ra 1\,^{1}A_2$ & 6.10 & 0.19 & 0.08 & 0.05
& & &
& & &
& & &
& 0.34 & 0.12 & 0.07
& 0.33 & 0.11 & 0.07
& 0.33 & 0.11 & 0.07
\\
& $1\,^{1}A_1 \ra 1\,^{1}B_1$ & 6.29 & -0.19 & -0.05 & 0.00
& & &
& & &
& & &
& -0.12 & 0.01 & 0.03
& -0.14 & 0.00 & 0.03
& -0.14 & 0.01 & 0.03
\\
& $1\,^{1}A_1 \ra 1\,^{3}A_2$ & 5.74 & 0.16 & 0.07 & 0.05
& & &
& & &
& & &
& 0.33 & 0.12 & 0.08
& 0.35 & 0.13 & 0.08
& 0.34 & 0.34 & 0.08
\\
& $1\,^{1}A_1 \ra 1\,^{3}B_1$ & 5.94 & -0.19 & -0.05 & -0.01
& & &
& & &
& & &
& -0.08 & 0.02 & 0.03
& -0.06 & 0.03 & 0.03
& -0.08 & 0.04 & 0.04
\\
\\
Ammonia & $1\,^{1}A_{1} \ra 1\,^{1}A_{2}$ & 6.66 & -0.18 & -0.07 & -0.02
@ -302,15 +313,15 @@ In the present study, we rely on the recently proposed short-range density-funct
& 1.13 & 0.71 & 0.78
\\
& $1\,^{1}A_{1} \ra 1\,^{3}A_{2}$ & 6.37 & -0.18 & -0.06 & -0.02
& -0.03 & 0.00 &
& -0.07 & 0.02 &
& -0.07 & -0.01 &
& -0.03 & 0.00 & 0.03
& -0.07 & 0.02 & 0.00
& -0.07 & -0.01 & 0.00
\\
\\
Hydrogen chloride& ${}^1\Sigma \ra {}^1\Pi(\text{CT})$ & 7.86 & -0.04 & -0.02 & 0.02
& & &
& & &
& & &
Hydrogen chloride& ${}^1\Sigma \ra {}^1\Pi$ & 7.86 & -0.04 & -0.02 & 0.02
& 0.13 & 0.06 & 0.06
& 0.11 & 0.04 & 0.05
& 0.10 & 0.05 & 0.06
\end{tabular}
\end{ruledtabular}
\end{table*}