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

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.