Semiclassical initial value theory of rotationally inelastic scattering: Some remarks on the phase index in the interaction picture.

Abstract

This paper deals with the treatment of quantum interferences in the semiclassical initial value theory of rotationally inelastic scattering in the interaction picture. Like many semiclassical methods, the previous approach involves a phase index related to sign changes of a Jacobian whose square root is involved in the calculations. It is shown that replacing the original phase index by a new one extends the range of applicability of the theory. The resulting predictions are in close agreement with exact quantum scattering results for a model of atom-rigid diatom collision involving strong interferences. The developments are performed within the framework of the planar rotor model, but are readily applicable to three-dimensional collisions.