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Emmanuel Giner 2020-03-26 18:47:42 +01:00
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Revised_Manuscript/srDFT_SC.tex
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@ -700,7 +700,7 @@ The performance of each of these functionals is tested in the following. Note th
System & \tabc{Basis set} &\tabc{$\ontopcas$}& \tabc{$\ontopextrap$}& \tabc{$\ontopcipsi$} & \tabc{$\ontopextrapcipsi$}& \tabc{$\muaverage$} & \tabc{$\muaveragecipsi$} \\ System & \tabc{Basis set} &\tabc{$\ontopcas$}& \tabc{$\ontopextrap$}& \tabc{$\ontopcipsi$} & \tabc{$\ontopextrapcipsi$}& \tabc{$\muaverage$} & \tabc{$\muaveragecipsi$} \\
\hline \hline
\ce{N2} & aug-cc-pVDZ & 0.58771 & 0.32983 & 0.51396 & 0.29114 & 0.946 & 0.962 \\ \ce{N2} & aug-cc-pVDZ & 0.58771 & 0.32983 & 0.51396 & 0.29114 & 0.946 & 0.962 \\
& aug-cc-pVTZ & 0.59162 & 0.38506 & 0.46138 & 0.30537 & 1.328 & \\ & aug-cc-pVTZ & 0.59162 & 0.38506 & 0.46138 & 0.30537 & 1.328 & 1.364 \\
& aug-cc-pVQZ & 0.59242 & 0.42006 & 0.41933 & 0.29991 & 1.706 & \\[0.1cm] & aug-cc-pVQZ & 0.59242 & 0.42006 & 0.41933 & 0.29991 & 1.706 & \\[0.1cm]
\ce{N} & aug-cc-pVDZ & 0.17232 & 0.09811 & 0.12742 & 0.07343 & 0.910 & 0.922 \\ \ce{N} & aug-cc-pVDZ & 0.17232 & 0.09811 & 0.12742 & 0.07343 & 0.910 & 0.922 \\