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

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.This work has been supported by DGICYT (Ministerio de Educación y Ciencia, Spain) under Grant Nos. PB97-0027 and PB95-0071, and by the European TMR network Contract No. ERBFMRXCT96-0088. M. L. also thanks the Comunidad Autónoma de Madrid for a Grant. We also want to acknowledge DGICYT and CIEMAT for the use of a CRAY-J90.Peer Reviewe