Integral and differential state-to-state cross-sections for the reactions F+D2(v i=0,j i)→DF(v f,j f)+D: A comparison between three-dimensional quantum mechanical and experimental results

Abstract

In this letter we report quantum mechanical integral and differential cross sections for the title reactions as calculated on a new ab initiopotential 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.