The investigation of He+H2+ (u,j) scattering by time-dependent quantum wave packet method

ABSTRACT MASTER THESIS THE INVESTIGATION OF He+H2+ (u, j) SCATTERING BY TIME- DEPENDENT QUANTUM WAVE PACKET METHOD Rukiye TUTUK Firat University Graduate School of Natural and Applied Sciences Department of Physics 2004, Page: 47 In this study, the time- dependent wave packet method has been applied to three dimensional He +H2+(uj')-» He +H2+(üj") inelastic scattering. In chapter 1, atom- molecule, molecule-molecule interactions and classical, sami- classical and quantum methods developed to investigate these interactions have been eveluated. The techniques to calculate the molecular potential energy surface have also been disscussed. In chapter 2, the solution of the time-dependent Schrödinger equation has been described. For this reason, Chebychev propagation method, the operation of the Hamiltonian operator on the wave function and the Fourier Ttransform technique have been disscussed in details. In chapter 3, the Fourier Grid Method has been applied to He +H.2+(o,f)-> He +H.2+(o,p inelastic scattering and state-to state and state to-all transition probabilities have been calculated while the result have been evaluated in last chapter. Keywords: Inelastic scattering, Hamiltonian Operation, Transition Probabilities V