Time dependent quantum dynamics of the He+CaH(v,j) reaction

In this thesis, Time Dependent Wave Packet method has been applied to the He+CaH(?,j)?He+CaH(??,j?) reaction in three dimensional (3D). The method used is based on the solution of time dependent Schrodinger equation. The Time Dependent Schrodinger equation which is an initial value problem is solved by means of Fourier Grid methods. However, the time dependent propagation on a potential energy surface of the wave packet is accomplished by an expansion in terms of modified complex chebychev polynomials. The propagation requires repeatedly operation of the Hamiltonian operator on the wave function. Transition probabilities among the state-to-state Quantum levels and distributions in the production channel have been calculated for total angular momentum J=0 in a broad range of collision energies. For the calculation of integral cross-sections, the transition possibilities for all J?0 reaction probabilities have been determined by the means of simple J-Shifting Approach and the reaction speed states have been had via the integral cross-sections or Uniform-J Shifting methods Keywords: Inelastic Scattering, Hamiltonian Operation, Transition Probabilities and Cross Sections, Rate Constant.