Prediction and interpretation of collinear reactive scattering resonances by the diagonal corrected vibrational adiabatic hyperspherical model

Abstract

One-dimensional single-channel scattering calculations on an effective potential are used to discuss resonances in collinear reactions and to predict their energetic location almost quantitatively. The effective potential includes the vibrationally adiabatic potential and the adiabatic diagonal correction in Delves' mass-weighted polar coordinates (hyperspherical coordinates). This diagonal corrected vibrational adiabatic hyperspherical (DIVAH) model is tested for a variety of reactions (H + H2, H + MuH, I + HI, F + H2) and a detailed discussion of the effective potential and its physical implications is given.