An overview of nonadiabatic dynamics simulations methods, with focus on the direct approach versus the fitting of potential energy surfaces

By Maurizio Persico, Giovanni Granucci. Theoretical Chemistry accounts, 2014

184 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/49610db8105573cce8c58c8e6ba23cc275ced9f4