Quantum mechanical calculations of collinear reactive collisions at energies above the dissociation threshold: A discretehyphen;variablehyphen;representation approach

摘要

A timehyphen;independent method which does not rely on a closehyphen;coupling approach has been developed for quantum mechanical reactive/dissociative collisions of collinear atomndash;diatom systems. The Schrouml;dinger equation represented in hyperspherical coordinates is solved by means of a discrete variable representation. The results for a model H+HD system are compared with those obtained by the timehyphen;dependent wavehyphen;packet propagation calculation of Leforestier. The present method is powerful for the study of reactive collisions at energies above the dissociation threshold.