25 citations · 25 across the 3 of their papers we have counts for
5 papers
Exact Factorization Adventures: A Promising Approach for Non-bound States
Evaristo Villaseco Arribas, Federica Agostini, Neepa T. Maitra
Modeling the dynamics of non-bound states in molecules requires an accurate description of how electronic motion affects nuclear motion and vice-versa. The exact factorization (XF)…
Ultrafast dynamics with the exact factorization
Federica Agostini, E. K. U. Gross
The exact factorization of the time-dependent electron-nuclear wavefunction has been employed successfully in the field of quantum molecular dynamics simulations for interpreting a…
Quantum-classical nonadiabatic dynamics of Floquet driven systems
Marco Schirò, Florian G. Eich, Federica Agostini
We develop a trajectory-based approach for excited-state molecular dynamics simulations of systems subject to an external periodic drive. We combine the exact-factorization formali…
The Coupled-Trajectory Mixed Quantum-Classical Algorithm: A Deconstruction
Graeme H. Gossel, Federica Agostini, Neepa T. Maitra
We analyze a mixed quantum-classical algorithm recently derived from the exact factorization equations [Min, Agostini, Gross, PRL {\bf 115}, 073001 (2015)] to show the role of the…
Steps in the exact time-dependent potential energy surface
Ali Abedi, Federica Agostini, Yasumitsu Suzuki +1
We study the exact Time-Dependent Potential Energy Surface (TDPES) in the presence of strong non-adiabatic coupling between the electronic and nuclear motion. The concept of the TD…