A time-dependent quantum approach to dissociative recombination, associative ionization, and Penning ionization

Abstract

A time-dependent wave packet method is introduced for calculating the integral and differential cross sections for the dissociative recombination (DR), associative ionization (AI), and Penning ionization (PI) processes. This method is demonstrated for DR/AI of the N + O ↔ NO+ + e− system and PI for the He* + Ar → He + Ar+ + e− system. Good agreement with previous theoretical and experimental results is obtained for these DR, AI, and PI processes. This method has the potential to provide a quantitative characterization of polyatomic ionization-involved processes on multidimensional potential energy surfaces.