Three dimensional quantum dynamics of (H⁻, H₂) and its isotopic variants

Abstract

We present the results of a time-dependent quantum mechanical investigation using centrifugal sudden approximation in the form of reaction probability as a function of collision energy (E_trans) in the range 0.3-3.0 eV for a range of total angular momentum (J) values and the excitation function σ(E_trans) for the exchange reaction H⁻+H₂ (v=0, j=0)→H₂+H⁻ and its isotopic variants in three dimensions on an accurate ab initio potential energy surface published recently (J. Chem. Phys. 2004, 121, 9343). The excitation function results are shown to be in excellent agreement with those obtained from crossed beam measurements by Zimmer and Linder for H⁻+D₂ collisions for energies below the threshold for electron detachment channel and somewhat larger than the most recent results of Haufler et al. for (H⁻, D₂) and (D⁻, H₂) collisions.