Transition state resonances in collinear (H^-, H<inf>2</inf>) collisions

Abstract

The possibility of reactive scattering resonances in collinear (H-, H2) collisions is examined by computing the transition state spectra obtained by Fourier transforming temporal autocorrelation functions for wavepackets placed initially in the transition state region of the ab initio potential energy surface for the system. The nature of the resonances is investigated by computing the corresponding eigenfunctions and their lifetimes. © 1995.