papers
Publications (3)
physics.chem-ph2016
On the mass of atoms in molecules: Beyond the Born-Oppenheimer approximation
Arne Scherrer, Federica Agostini, Daniel Sebastiani +2
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
cond-mat.mtrl-sci2010
The isotope-effect in the phase transition of KDP: New insights from ab initio path-integral simulations
Varadharajan Srinivasan, Roberto Car, Daniel Sebastiani