Quantum Mechanical Studies of the Vibrational Excitation of H2 by Li+

Abstract

The quantum mechanical equations of motion for the vibrational excitation of an harmonic are solved via the set of coupled Volterra equations describing that motion. The numerical techniques which allow accurate inclusion of closed channels are developed. The equations are solved for an ab initio interaction potential and for a model potential. The ab initio interaction potential gives results in poor agreement with experiments. A comparison with the results of a two-parameter model potential, which can give results close to the experimental results, provides some insight into features of the surface which are important for vibration excitation.