66 citations · 66 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2016★ 66 cited
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…
physics.chem-ph2015
Nuclear velocity perturbation theory for vibrational circular dichroism: An approach based on the exact factorization of the electron-nuclear wave function
Arne Scherrer, Federica Agostini, Daniel Sebastiani +2
The nuclear velocity perturbation theory (NVPT) for vibrational circular dichroism (VCD) is derived from the exact factorization of the electron-nuclear wave function. This new for…