Quantum Reactive Scattering: Collision Induced Dissociation

Abstract

A new method of generating basis functions for reactive and collision-induced dissociation three-body scattering problems is presented. This method produces efficient, physically motivated basis functions that are easily calculated, but most importantly are able to represent three-body breakup states in addition to any reactive or non-reactive scattering. An integration scheme is also presented that allows for propagation to very large distances without increasing the required computational effort. The methodology is presented, and basis functions for the H3 system are given as example.