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Pierre-Francois Loos 2020-01-31 09:19:53 +01:00
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@ -379,7 +379,8 @@ In summary, each method has its own strengths and weaknesses, and none of them i
\begin{figure} \begin{figure}
\includegraphics[width=\linewidth]{QUEST2} \includegraphics[width=\linewidth]{QUEST2}
\caption{\hl{Mean absolute error (MAE, top) and maximum absolute error (MAX, bottom)} with respect to FCI excitation energies for the doubly excited states reported in Ref.~\citenum{Loo19c} for various methods taking into account at least triple excitations. \caption{\hl{Mean absolute error (MAE, top) and maximum absolute error (MAX, bottom)} with respect to FCI excitation energies for the doubly excited states reported in Ref.~\citenum{Loo19c} for various methods taking into account at least triple excitations.
$\%T_1$ corresponds to single excitation percentage in the transition calculated at the CC3 level.} $\%T_1$ corresponds to single excitation percentage in the transition calculated at the CC3 level.
\hl{For this particular set and methods, the mean signed error is equal to the MAE.}}
\label{fig:Set2} \label{fig:Set2}
\end{figure} \end{figure}
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