INTEGRAL AND DIFFERENTIAL STATE-TO-STATE CROSS-SECTIONS FOR THE REACTIONS F+D-2 (V(I)=O,J(I))-]DF(V(F),J(F))+D - A COMPARISON BETWEEN THREE-DIMENSIONAL QUANTUM MECHANICAL AND EXPERIMENTAL RESULTS

摘要

In this letter we report quantum mechanical integral and differential cross sections for the title reactions as calculated on a new ab initio potential energy surface. The calculations, all carried out in the reagents arrangement channel employing negative imaginary potentials, were done within the coupled-states approximation. The final vibrational state-to-state differential and integral cross sections were compared with experiment. Altogether, a very encouraging agreement was obtained. (C) 1996 American Institute of Physics. [References: 49]