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

Manu: minor change in III B

Browse Source
This commit is contained in:
Emmanuel Fromager 2020-02-25 16:27:57 +01:00
parent cc4a66adf0
commit 7c205ffa61
1 changed files with 1 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
Manuscript/eDFT.tex
View File

@ -920,7 +920,7 @@ Based on highly-accurate calculations (see {\SI} for additional details), one ca
where the $a_k^{(I)}$'s are state-specific fitting parameters provided in Table \ref{tab:OG_func}. where the $a_k^{(I)}$'s are state-specific fitting parameters provided in Table \ref{tab:OG_func}.
The value of $a_1^{(I)}$ is obtained via the exact high-density expansion of the correlation energy. \cite{Loos_2013a, Loos_2014a} The value of $a_1^{(I)}$ is obtained via the exact high-density expansion of the correlation energy. \cite{Loos_2013a, Loos_2014a}
Equation \eqref{eq:ec} provides three state-specific correlation DFAs based on a two-electron system. Equation \eqref{eq:ec} provides three state-specific correlation DFAs based on a two-electron system.
Combining these, one can build a three-state weight-dependent correlation eDFA: Combining these, one can build the following three-state weight-dependent correlation eDFA:
\begin{equation} \begin{equation}
\label{eq:ecw} \label{eq:ecw}
\e{c}{\bw}(\n{}{}) = (1-\ew{1}-\ew{2}) \e{c}{(0)}(\n{}{}) + \ew{1} \e{c}{(1)}(\n{}{}) + \ew{2} \e{c}{(2)}(\n{}{}). \e{c}{\bw}(\n{}{}) = (1-\ew{1}-\ew{2}) \e{c}{(0)}(\n{}{}) + \ew{1} \e{c}{(1)}(\n{}{}) + \ew{2} \e{c}{(2)}(\n{}{}).