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

Commit id: 24ececf24c8862cedffeee594a0d1262d087216f

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\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}