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Pierre-Francois Loos 2019-04-04 16:39:02 +02:00
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Manuscript/G2-srDFT.tex
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@ -271,7 +271,7 @@ where
= \min_{\wf{}{} \to \n{}{}} \mel*{\wf{}{}}{\hT + \hWee}{\wf{}{}} = \min_{\wf{}{} \to \n{}{}} \mel*{\wf{}{}}{\hT + \hWee}{\wf{}{}}
- \min_{\wf{}{\Bas} \to \n{}{}} \mel*{\wf{}{\Bas}}{\hT + \hWee}{\wf{}{\Bas}} - \min_{\wf{}{\Bas} \to \n{}{}} \mel*{\wf{}{\Bas}}{\hT + \hWee}{\wf{}{\Bas}}
\end{equation} \end{equation}
is the complementary density functional defined in Eq.~(8) of Ref.~\onlinecite{GinPraFerAssSavTou-JCP-18}. is the complementary density functional defined in Eq.~(8) of Ref.~\onlinecite{GinPraFerAssSavTou-JCP-18}, and $\hT$ and $\hWee$ are the kinetic and interelectronic repulsion operators, respectively.
In Eq.~\eqref{eq:E_funcbasis}, $\wf{}{\Bas}$ is the wave function obtained from the $\Nel$-electron Hilbert space spanned by $\Bas$, and $\wf{}{}$ is a general $\Nel$-electron wave function being obtained in a complete basis. In Eq.~\eqref{eq:E_funcbasis}, $\wf{}{\Bas}$ is the wave function obtained from the $\Nel$-electron Hilbert space spanned by $\Bas$, and $\wf{}{}$ is a general $\Nel$-electron wave function being obtained in a complete basis.
Both wave functions yield the same target density $\n{}{}$. Both wave functions yield the same target density $\n{}{}$.