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Pierre-Francois Loos 2020-03-04 15:32:32 +01:00
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commit 21229490f1

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@ -1176,8 +1176,13 @@ ensemble KS orbitals in the presence of GIE [see Eq.~\eqref{eq:min_with_HF_ener_
\end{figure*}
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Figure \ref{fig:EIvsW} reports the behavior of the three KS-eLDA individual energies as functions of the weights.
\titou{Here comes the discussion.
The individual energies do not vary in the same way depending on the state considered and the weight chosen.
We see for example that the energy of the ground state increases when we increase the weight of the bi-ensemble, thus showing that we ``deteriorate'' this state a little by optimizing the orbitals also for the excited states.
Interesting also to see that the reverse occurs in the tri-ensemble.}
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\begin{figure}
\includegraphics[width=\linewidth]{EvsL_5}
\caption{
@ -1237,7 +1242,7 @@ addressed later on. We should say something here and then refer to the
end of the section, or something like that ...}
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\begin{figure*}
\includegraphics[width=\linewidth]{EvsN}
\caption{
@ -1275,7 +1280,7 @@ two-electron model system, the present methodology is applicable to any
1D electronic system, \ie, a system that has more than two
electrons.
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%%% FIG 5 %%%
\begin{figure}
\includegraphics[width=\linewidth]{EvsL_5_HF}
\caption{
@ -1318,7 +1323,7 @@ only speculate. Let us first see how important the contribution in
Eq.~\eqref{eq:DD_term_to_compute} is. What follows should also be
updated in the light of the new results.}
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\begin{figure}
\includegraphics[width=\linewidth]{EvsN_HF}
\caption{