State-to-state reaction probabilities using bond coordinates: application to the Li+HF(v,j) collision

Abstract

A time-dependent method to evaluate state-to-state reaction probabilities is presented. For demonstration purposes, the method is applied to Li+HF(v=0, 1, j=0, J=0) reactive collisions using the global potential energy surfaces (GPES). This accuracy of the method is very good when compared with recent time-independent hyperspherical calculations in this system.