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Xavier Andrade edited Complex DFT.tex
over 9 years ago
Commit id: 8de072a1db411b3210ec62f5cc6fd855f3f73c36
deletions | additions
diff --git a/Complex DFT.tex b/Complex DFT.tex
index d9b7a14..99ffd52 100644
--- a/Complex DFT.tex
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...
The defining characteristic of a resonant state, often called a Siegert
state\cite{PhysRev.56.750}, state~\cite{PhysRev.56.750}, is that it has an
outgoing component but not an incoming one.
They can be determined by solving the
time-independent Schrödinger
...
of every term by $\theta$ in the complex plane.
The DFT energy functional becomes
%
\newcommand{\rprime}[0]{\vec r'}
\begin{align} \newcommand{\rprime}[0]{\vec{r}'}
\begin{multline}
E_\theta
&= = \ee^{-\ii2\theta}
\sum_n \int\dee\vec r\, \varphi_{\theta n}(\vec r) \left(-\frac12 \nabla^2\right)
\varphi_{\theta n}(\vec r)\\
+ \ee^{-\ii\theta} \frac12
...
\frac{n_\theta(\vec r)n_\theta(\rprime)}{\Vert\vec r - \rprime\Vert}\nonumber\\
&\quad+ E_\xc^\theta[n_\theta]
+ \int\dee \vec r\, v_{\mathrm{ext}}(\vec r \ee^{\ii \theta}) n_\theta(\vec r)\ ,
\end{align} \end{multline}
%
with the, now complex, electron density
\begin{align}