Time dependent quantum dynamics of inelastic scattering

ABSTRACT Ph. D. THESIS TIME DEPENDENT QUANTUM DYNAMICS OF INELASTIC SCATTERING Sinan AKPINAR Fırat University Graduate School of Science and Technology Department of Physics 2001, Page: 84 In this thesis we have applied the time-dependent quantum wave packet method, which has been developed by Gögtaş and Balint-Kurti for reactive scattering, to the two dimensional inelastic scattering ofHe+Hj. The time dependent quantum method used is based on the solution of the time dependent Schrödinger equation. The time dependent Schrödinger equation is an initial value problem and can be solved by using an expansion in terms of modified complex Chebychev polynomials. The method involves the propagation of a predefined initial wave function on a potential energy surface. The propagation requires repeatedly operation of the Hamiltonian operator on the wave function. The operation of the Hamiltonian operator İs carried out by means of Fast Fourier Transformation and Discrete Variable Representation techniques. As the wave function evolves some portion of it is reflected from the strong potential wall leading inelastic scattering. The state-to-state reaction probabilities are calculated by analysing the reflected wave packet in the asymptotic region of reaction channel. The reaction probabilities for a broad range of collision energy are extracted from a single solution of the time dependent Schrödinger equation. Keywords: Inelastic Scattering, Reaction Dynamics, He+Hs, Reaction Probabilities