Use of localized rotational basis functions in non-reactive scattering with application to H + HF (v=1 → 0)

Abstract

Quantum mechanical calculations on the three dimensional non-reactive, vibrational relaxation process H + HF (v, j →v', j') are presented. The centrifugal sudden approximation is employed together with a recently developed localized form of rotational basis function which is shown to accelerate the convergence of the close-coupling calculations for this collinearly dominated system. A calculated rate constant for the v=1 »0 vibrational transition in non-reactive H + HF is compared with those obtained in experimental measurements.