186 citations · 855 across the 17 of their papers we have counts for
3 papers · 1 filter
On the mass of atoms in molecules: Beyond the Born-Oppenheimer approximation
Arne Scherrer, Federica Agostini, Daniel Sebastiani +2
Describing the dynamics of nuclei in molecules requires a potential energy surface, which is traditionally provided by the Born-Oppenheimer or adiabatic approximation. However, we…
The adiabatic limit of the exact factorization of the electron-nuclear wave function
F. G. Eich, Federica Agostini
We propose a procedure to analyze the relation between the exact factorization of the electron-nuclear wave function and the Born-Oppenheimer approximation. We define the adiabatic…
An Exact Factorization Perspective on Quantum Interferences in Nonadiabatic Dynamics
Basile F. E. Curchod, Federica Agostini, E. K. U. Gross
Nonadiabatic quantum interferences emerge whenever nuclear wavefunctions in different electronic states meet and interact in a nonadiabatic region. In this work, we analyze how non…