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Xavier Andrade edited Casida, Tamm-Dancoff, and excited-state forces.tex
over 9 years ago
Commit id: a98203a7a556d60bb8d15529c4467e4d6af0aaca
deletions | additions
diff --git a/Casida, Tamm-Dancoff, and excited-state forces.tex b/Casida, Tamm-Dancoff, and excited-state forces.tex
index 8480c5e..7403c29 100644
--- a/Casida, Tamm-Dancoff, and excited-state forces.tex
+++ b/Casida, Tamm-Dancoff, and excited-state forces.tex
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\begin{align}
\left< \varphi_{c'} \right| \left< \varphi_{v'} \right| A \left| \varphi_c \right> \left| \varphi_v \right> &=
\left( \epsilon_c - \epsilon_v \right) \delta_{cc'} \delta_{vv'} \\ \nonumber
+ &+ \left< \varphi_{c'} \right| \left< \varphi_{v'} \right| v + f_{\rm xc} \left| \varphi_c \right> \left| \varphi_v \right>\ , \\
\left< \varphi_{c'} \right| \left< \varphi_{v'} \right| B \left| \varphi_c \right> \left| \varphi_v \right> &=
\left< \varphi_{c'} \right| \left< \varphi_{v'} \right| v + f_{\rm xc} \left| \varphi_c \right> \left| \varphi_v \right>\ .
\end{align} (Octopus currently only supports $f_{\rm xc}$ for LDA-type functionals.)