Test of trajectory surface hopping against accurate quantum dynamics for an electronically nonadiabatic chemical reaction

A study was conducted relating to research on trajectory surface hopping as a model for electronically nonadiabatic processes in molecules. The experiment reports on a test of two of the most general trajectory surface hopping algorithms as well as two variants against accurate quantum dynamics for a three-dimensional reactive collision process. In particular, the study considers a model system where nonreactive quenching competes with reaction.