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Julien Toulouse 2019-04-19 20:10:27 +02:00
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Manuscript/G2-srDFT.tex
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@ -349,7 +349,8 @@ The ECMD functionals admit, for any $\n{}{}$, the following two limiting forms
\end{subequations}
where $\Ec[\n{}{}]$ is the usual universal correlation density functional defined in KS-DFT.
The choice of the ECMD in the present scheme is motivated by the analogy between the definition of $\bE{}{\Bas}[\n{}{}]$ [Eq.~\eqref{eq:E_funcbasis}] and the ECMD functional [Eq.~\eqref{eq:ec_md_mu}].
Indeed, provided that $\w{}{\lr,\rsmu{\Bas}{}}(\br{1},\br{2}) = \W{\Bas}{}(\br{1},\br{2})$, then $\wf{}{\rsmu{\Bas}{}}$ and $\wf{}{\Bas}$ coincide.
Indeed, the two functionals coincide if $\wf{}{\Bas} = \wf{}{\rsmu{}{}}$.
%provided that $\w{}{\lr,\rsmu{\Bas}{}}(\br{1},\br{2}) = \W{\Bas}{}(\br{1},\br{2})$, then $\wf{}{\rsmu{\Bas}{}}$ and $\wf{}{\Bas}$ coincide.
%The ECMD functionals differ from the standard RS-DFT correlation functional by the fact that the reference is not the KS Slater determinant but a multi-determinantal wave function.
%This makes them particularly well adapted to the present context where one aims at correcting a general WFT method.
Therefore, we approximate $\bE{}{\Bas}[\n{}{}]$ by ECMD functionals evaluated with the range-separation function $\rsmu{\Bas}{}(\br{})$.