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Bruno Senjean 2020-04-08 18:00:54 +02:00
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Manuscript/FarDFT.tex
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@ -617,7 +617,9 @@ As shown in Fig.~\ref{fig:Ew_H2}, the SGIC-eVWN5 is slightly less concave than i
For a more qualitative picture, Table \ref{tab:BigTab_H2} reports excitation energies for various methods and basis sets.
In particular, we report the excitation energies obtained with GOK-DFT in the zero-weight limit (\ie, $\ew{} = 0$) and for the equi-ensemble (\ie, $\ew{} = 1/2$).
For comparison purposes, we also report the linear interpolation method (LIM) excitation energies, \cite{Senjean_2015,Senjean_2016} which are defined as
For comparison purposes, we also report the linear interpolation method (LIM), \cite{Senjean_2015,Senjean_2016} which is
a pragmatic way of getting weight-independent
excitation energies defined as
\begin{equation}
\Ex{\LIM}{(1)} = 2 (\E{}{\ew{}=1/2} - \E{}{\ew{}=0}),
\end{equation}