259 citations · 854 across the 15 of their papers we have counts for
3 papers · 2 filters
Classical nuclear motion coupled to electronic non-adiabatic transitions
Federica Agostini, Ali Abedi, E. K. U. Gross
We present a detailed derivation and numerical tests of a new mixed quantum-classical scheme to deal with non-adiabatic processes. The method is presented as the zero-th order appr…
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…
Mixed quantum-classical dynamics from the exact decomposition of electron-nuclear motion
Ali Abedi, Federica Agostini, E. K. U. Gross
We present a novel mixed quantum-classical approach to the coupled electron-nuclear dynamics based on the exact factorization of the electron-nuclear wave function, recently propos…