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2nd part of theory made clearer

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Pierre-Francois Loos 2019-10-12 10:14:48 +02:00
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Manuscript/GW-srDFT.tex
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@ -465,6 +465,7 @@ We refer the interested reader to Refs.~\onlinecite{GinPraFerAssSavTou-JCP-18, L
The basis set corrected {\GOWO} quasiparticle energies are thus given by The basis set corrected {\GOWO} quasiparticle energies are thus given by
\begin{equation} \begin{equation}
\beGOWO{p} = \eGOWO{p} + \bPot{}{\Bas} \beGOWO{p} = \eGOWO{p} + \bPot{}{\Bas}
\label{eq:QP-corrected}
\end{equation} \end{equation}
with with
\begin{equation} \begin{equation}
@ -475,6 +476,9 @@ with
& = \int \bpot{}{\Bas}[\n{}{}](\br{}) \MO{p}(\br{})^2 \dbr{}. & = \int \bpot{}{\Bas}[\n{}{}](\br{}) \MO{p}(\br{})^2 \dbr{}.
\end{split} \end{split}
\end{equation} \end{equation}
As evidenced by Eq.~\eqref{eq:QP-corrected}, the present basis set correction is a non-self-consistent, \textit{post}-GW correction.
Although outside the scope of this study, various other strategies can be potentially designed, for example, within linearized {\GOWO} or self-consistent GW calculations.
%%%%%%%%%%%%%%%%%%%%%%%% %%%%%%%%%%%%%%%%%%%%%%%%
\section{Computational details} \section{Computational details}
\label{sec:compdetails} \label{sec:compdetails}