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Pierre-Francois Loos 2019-04-23 15:03:31 +02:00
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Manuscript/G2-srDFT.tex
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@ -229,7 +229,7 @@ Contrary to the conventional RS-DFT scheme which requires a range-separation \te
The first step of the present basis-set correction consists of obtaining an effective two-electron interaction $\W{}{\Bas}(\br{1},\br{2})$ ``mimicking'' the Coulomb operator in an incomplete basis $\Bas$. The first step of the present basis-set correction consists of obtaining an effective two-electron interaction $\W{}{\Bas}(\br{1},\br{2})$ ``mimicking'' the Coulomb operator in an incomplete basis $\Bas$.
In a second step, we shall link $\W{}{\Bas}(\br{1},\br{2})$ to $\rsmu{}{\Bas}(\br{})$. In a second step, we shall link $\W{}{\Bas}(\br{1},\br{2})$ to $\rsmu{}{\Bas}(\br{})$.
In the final step, we employ short-range density functionals \cite{TouGorSav-TCA-05} with $\rsmu{}{\Bas}(\br{})$ as range-separation function. \titou{As a} final step, we employ short-range density functionals \cite{TouGorSav-TCA-05} with $\rsmu{}{\Bas}(\br{})$ as range-separation function.
%================================================================= %=================================================================
%\subsection{Effective Coulomb operator} %\subsection{Effective Coulomb operator}