VARIATIONAL CALCULATION OF INTEGRAL CROSS-SECTIONS FOR THE REACTION F+H2-]HF+H

Accurate reactive scattering calculations of integral cross sections for the reaction F+ H-2 were carried out by utilizing the latest basis contraction techniques developed for the S matrix Kohn variational method. Convergence with respect to increasing the number of K states (K(max)) for high J calculations were tested. Calculations using K(max) = 2 gave accurate integral cross sections. Computed cross sections using variational CS approximation (K(max) = 0) were also shown and are correct semi-quantitatively.