Xavier Andrade edited Casida, Tamm-Dancoff, and excited-state forces.tex  over 9 years ago

Commit id: a98203a7a556d60bb8d15529c4467e4d6af0aaca

deletions | additions      

       

\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.)