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Xavier Andrade edited Casida, Tamm-Dancoff, and excited-state forces.tex
over 9 years ago
Commit id: 24ececf24c8862cedffeee594a0d1262d087216f
deletions | additions
diff --git a/Casida, Tamm-Dancoff, and excited-state forces.tex b/Casida, Tamm-Dancoff, and excited-state forces.tex
index 24145d0..f1e9e06 100644
--- a/Casida, Tamm-Dancoff, and excited-state forces.tex
+++ b/Casida, Tamm-Dancoff, and excited-state forces.tex
...
\end{equation}
and
\begin{multline}
\left<\varphi_c \varphi_v \left| \frac{\partial \hat{A}}{\partial R_{i \alpha}} \right| \varphi_{c'} \varphi_{v'} \right>
&= =
\left<\varphi_c \left| \frac{\partial \hat{H}}{\partial R_{i \alpha}} \right| \varphi_{c'} \right> \delta_{vv'} \\
\nonumber
- \left<\varphi_v \left| \frac{\partial \hat{H}}{\partial R_{i \alpha}} \right| \varphi_{v'} \right> \delta_{cc'}
+ \left<\varphi_c \varphi_v \left| \hat{K}_{\rm xc} \frac{\partial \rho}{\partial R_{i \alpha}} \right| \varphi_{c'} \varphi_{v'} \right>\,.
\end{multline}