259 citations · 854 across the 15 of their papers we have counts for
5 papers · 1 filter
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…
Correlated Electron-Nuclear Dynamics with Conditional Wave Functions
Guillermo Albareda, Heiko Appel, Ignacio Franco +2
The molecular Schrödinger equation is rewritten in terms of non-unitary equations of motion for the nuclei (or electrons) that depend parametrically on the configuration of an ense…
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…
Is the molecular Berry phase an artifact of the Born-Oppenheimer approximation?
S. K. Min, A. Abedi, K. S. Kim +1
We demonstrate that the molecular Berry phase and the corresponding non-analyticity in the electronic Born-Oppenheimer wavefunction is, in general, not a true topological feature o…