loos/eDFT_FUEG
1
0
Fork 0
Code Issues Pull Requests Releases Wiki Activity

new fig for DD

Browse Source
This commit is contained in:
Pierre-Francois Loos 2020-03-10 20:00:23 +01:00
parent f3b22e8b43
commit 030e5b5c10
2 changed files with 4 additions and 4 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

BIN
Manuscript/EvsL_DD.pdf
View File

Binary file not shown.

8
Manuscript/eDFT.tex
View File

@ -1412,14 +1412,14 @@ two-electron model system, the present methodology is applicable to any
electrons. electrons.
%%% FIG 5 %%% %%% FIG 5 %%%
\begin{figure} \begin{figure*}
\includegraphics[width=\linewidth]{EvsL_3_DD} \includegraphics[width=\linewidth]{EvsL_DD}
\caption{ \caption{
\label{fig:EvsL_DD} \label{fig:EvsL_DD}
Error with respect to FCI (in \%) associated with the single excitation $\Ex{}{(1)}$ (bottom) and double excitation $\Ex{}{(2)}$ (top) as a function of the box length $L$ for 3-boxium at the KS-eLDA level with and without the contribution of the ensemble correlation derivative $\DD{c}{(I)}$. Error with respect to FCI (in \%) associated with the single excitation $\Ex{}{(1)}$ (bottom) and double excitation $\Ex{}{(2)}$ (top) as a function of the box length $L$ for 3-boxium (left), 5-boxium (center), and 7-boxium (right) at the KS-eLDA level with and without the contribution of the ensemble correlation derivative $\DD{c}{(I)}$.
Zero-weight (\ie, $\ew{1} = \ew{2} = 0$, red lines) and equiweight (\ie, $\ew{1} = \ew{2} = 1/3$, blue lines) calculations are reported. Zero-weight (\ie, $\ew{1} = \ew{2} = 0$, red lines) and equiweight (\ie, $\ew{1} = \ew{2} = 1/3$, blue lines) calculations are reported.
} }
\end{figure} \end{figure*}
%%% %%% %%% %%% %%% %%%
It is also interesting to investigate the influence of the It is also interesting to investigate the influence of the