186 citations · 328 across the 4 of their papers we have counts for
5 papers
Quantum-Classical Non-Adiabatic Dynamics: Coupled- vs. Independent-Trajectory Methods
Federica Agostini, Seung Kyu Min, Ali Abedi +1
Trajectory-based mixed quantum-classical approaches to coupled electron-nuclear dynamics suffer from well-studied problems such as the lack of (or incorrect account for) decoherenc…
A coupled-trajectory quantum-classical approach to decoherence in non-adiabatic processes
Seung Kyu Min, Federica Agostini, E. K. U. Gross
We present a novel quantum-classical approach to non-adiabatic dynamics, deduced from the coupled electronic and nuclear equations in the framework of the exact factorization of th…
Semiclassical analysis of the electron-nuclear coupling in electronic non-adiabatic processes
Federica Agostini, Seung Kyu Min, E. K. U. Gross
In the context of the exact factorization of the electron-nuclear wave function, the coupling between electrons and nuclei beyond the adiabatic regime is encoded (i) in the time-de…
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…
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…