diff --git a/Manuscript/FarDFT.tex b/Manuscript/FarDFT.tex index f40a644..e0f32ee 100644 --- a/Manuscript/FarDFT.tex +++ b/Manuscript/FarDFT.tex @@ -387,9 +387,10 @@ and \end{subequations} makes the ensemble almost perfectly linear (see Fig.~\ref{fig:Ew_H2}), and the excitation energy much more stable and closer to the FCI reference (see Fig.~\ref{fig:Om_H2}). As readily seen from Eq.~\eqref{eq:Cxw}, $\Cx{\ew{}}$ reduces to $\Cx{}$ for $\ew{} = 0$. -Note that we are not only using data from $\ew{} = 0$ to $\ew{} = 1/2$, but we also consider $1/2 < \ew{} \le 1$. -We ensure that the weight-dependent functional does not affect the two ghost-interaction-free limits at $\ew{} = 0$ and $1$. -It is interesting to note that, around $\ew{} = 0$, the behavior of Eq.~\eqref{eq:Cxw} is linear. +Note that we are not only using data from $\ew{} = 0$ to $\ew{} = 1/2$, but we also consider ensemble energies for $1/2 < \ew{} \le 1$, which is strictly forbidden by the GOK variational principle. \cite{Gross_1988a} +However, it is important to ensure that the weight-dependent functional does not affect the two ghost-interaction-free limits at $\ew{} = 0$ and $\ew{} = 1$. +Therefore, by construction, the weight-dependent correction vanishes for these two limiting weight values (see Fig.~\ref{fig:Cx_H2}). +Finally, let us mention that, around $\ew{} = 0$, the behaviour of Eq.~\eqref{eq:Cxw} is linear. \begin{figure} \includegraphics[width=0.8\linewidth]{Cx_H2} \caption{