ACCURATE 3-DIMENSIONAL QUANTUM SCATTERING CALCULATIONS FOR F+H2-]HF+H WITH TOTAL ANGULAR-MOMENTUM J = 1

Accurate 3D coupled channel calculations with total angular momentum J=1 are presented for the reaction F+H2→HF+H for the T5a potential of Truhlar and coworkers. Reaction probabilities for relative scattering energies up to 0.71 eV are reported. The APH hyperspherical formulation is used, and the adiabatic basis functions are generated using the discrete variable representation (DVR). The J=1 reaction probabilities into final vibrational channels show less structure than the J=0 results reported elsewhere. © 1990.