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Xavier Andrade edited Sternheimer.tex
over 9 years ago
Commit id: 58ee31cb96d595809ca1427843f8dde12be83dd2
deletions | additions
diff --git a/Sternheimer.tex b/Sternheimer.tex
index 3c99681..794e6aa 100644
--- a/Sternheimer.tex
+++ b/Sternheimer.tex
...
\Big\}\ ,
\end{equation}
%\end{multline}
needs to be calculated self-consistently. The first order variation of the
Kohn-Sham KS Hamiltonian is
%\begin{multline}
\begin{equation} \begin{multline}
\label{eq:h1}
\delta{H}(\omega)=
\delta{V}(\vec{r}) \delta{\hat H}(\omega)=
\delta{v}(\vec{r})
+\int \mathrm{d}\vec{r}'
\frac{\delta{n}(\vec{r}',\omega)}{|\vec{r}-\vec{r}'|} \frac{\delta{n}(\vec{r}',\omega)}{|\vec{r}-\vec{r}'|}\\
+\int \mathrm{d}\vec{r}' f_{\rm xc}(\vec r, \vec r', \omega)\,\delta{n}(\vec{r'}, \omega)
\ ,
\end{equation} \end{multline}
%
\(\mathrm{P}_c\) is a projector operator, and
\(\eta\) a positive in\-fi\-ni\-te\-si\-mal, essential to obtain the