Classical model for electronic degrees of freedom in nonadiabatic collision processes: Pseudopotential analysis and calculations for F(2P1/2)+H+,Xe→F(2P3/2)+H+,Xe

Abstract

It is shown how the classical version of a pseudopotential analysis can be used to obtain classical models for the electronic degrees of freedom in a molecular collision system. This allows one to construct a completely classical model for electronically nonadiabatic collision processes, which has the virtue that electronic and heavy particle degrees of freedom are described dynamically consistently (i.e., by classical trajectories). Application of this approach to fine‐structure changing collisions of F by collision with H⁺ and Xe gives encouraging agreement with quantum mechanical coupled‐channel calculations, suggesting that this model may in general be of useful accuracy for describing electronically nonadiabatic processes.