Initial value semiclassical approaches to reactive and non reactive transition probabilities

Abstract

Semiclassical initial value representations (IVR) of the S matrix elements for state to state transitions provide a practical way for incorporating quantum mechanical effects into the classical estimate of the transition probability of elementary chemical processes. This semiclassical IVR approach applies to the study of the reactive and non-reactive transitions in atom diatom collisions. As a case study the collinear H + Cl2 reaction is considered. © Springer-Verlag Berlin Heidelberg 2003.