Projection-reduced close coupling calculations of cross sections for vibrational relaxation in collisions of diatomic molecules with atoms

Abstract

This work investigates the possibility of performing converged close coupling calculations of cross sections for vibrational relaxation in atom–diatom collisions with basis sets reduced by neglecting states with high values of angular momentum projection. The calculations for the Ar+HF system show that if the molecule is initially in the state with vibrational and rotational quantum numbers v=1, ji, it may be possible to neglect states with projections of angular momentum greater than ji for all rotational levels in the basis set.