Molecular Collision Dynamics

Description

This monograph covers a broad spectrum of topics in the very broad field of gas phase molecular collision dynamics. The Introduction previews each of the four fol­ lowing topics and attempts to sew them together with a common thread. In addition, a brief review of quantum reactive scattering is given there along with some gen­ eral remarks which highlight the difficulties in doing quantum reactive scatter­ ing calculations. The chapters are all written by theoreticians who are, of course, experts in the subjects they have written about. Three chapters, the ones by Secrest, Schatz, and the one by Schinke and Bowman deal with non-reactive atom-molecule scattering. Col­ lectively, they describe nearly the full breadth of scattering methods in use to­ day, from fully quantum mechanical to semiclassical and quasiclassical. The chapter by Baer is the only one dealing with quantum reactive scattering with the additional complexity of the coupling of two potential energy surfaces. The one simplifying feature of the treatment is that the reaction is constrained to be collinear. Overall, this monograph is mainly a review of the recent advances in the field of molecular collision dynamics, with, however, a considerable amount of new material. It is hoped that workers and students in the field will find reading the mono­ graph both enlightening and enjoyable.