Theoretical studies of molecular collisions

The following subject areas are covered: (1) total integral reactive cross sections and vibrationally resolved reaction probabilities for F + H2 = HF + H; (2) a theoretical study of inelastic O + N2 collisions; (3) body frame close coupling wave packet approach to gas phase atom-rigit rotor inelastic collisions; (4) wave packet study of gas phase atom-rigit motor scattering; (5) the application of optical potentials for reactive scattering; (6) time dependent, three dimensional body frame quantal wave packet treatment of the H + H2 exchange reaction; (7) a time dependent wave packet approach to atom-diatom reactive collision probabilities; (8) time dependent wave packet for the complete determination of s-matrix elements for reactive molecular collisions in three dimensions; (9) a comparison of three time dependent wave packet methods for calculating electron-atom elastic scattering cross sections; and (10) a numerically exact full wave packet approach to molecule-surface scattering

Quantum scattering theory

This book provides a detailed exposition of quantum scattering theory as applied to chemical physics. It includes the fundamental mathematics of scattering, details of how it applies to atom-molecule, molecule-molecule collisions, as well as collisions with surfaces. A variety of computational methods for solving scattering problems are presented. In addition, some discussion of fully quantal approximations is included. Both inelastic and reactive scattering are treated in detail. Both time-dependent and time-independent approaches to scattering theory and scattering computation are included. The book will reflect the research done over approximately 50 years by the author