The investigation of photo-dissociation bytime dependent quantum method

Photo-dissociation, which is one of the important topics of quantum chemistry, may be described as the dissociation of a molecule by absorbing a single or multiple photons. In this thesis the basic principles of photo-dissociation and the methods developed to investigate dissociation have been given in details, and the time dependent quantum wave packet method has been applied to the dissociations of NH+, ND+ , HCl and DCl molecules.In chapter one, some basic principles of photo-dissociation have been given. In chapter two, photon-molecule interaction have been described both by classical electromagnetism lows and perturbation theory. The absorption cross section has been derived by means of Fermi?s Golden Rule. In chapter three, the techniques which have been developed to solve the time dependent Schrödinger equation have been summarized. In chapter 4, the quantum wave packet equations have been derived for the dissociation of a diatomic molecule while in chapter 5 the method has been applied to the dissociation of NH+, ND+, HCl and DCl molecules.It has been obtained that the HCl and DCl were dissociated directly while the dissociations of NH+ and ND+ were indirect types.