Quantum Reactive Scattering: Collision Induced Dissociation
Loading...
Date
Authors
Journal Title
Journal ISSN
Volume Title
Publisher
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.
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.