The exact forces on classical nuclei in non-adiabatic charge transfer

Federica Agostini, Ali Abedi, Yasumitsu Suzuki +3

The decomposition of electronic and nuclear motion presented in~[A. Abedi, N. T. Maitra, and E. K. U. Gross, Phys. Rev. Lett. 105, 123002 (2010)] yields a time-dependent potential…