Abstract

A multidimensional potential energy surface for the interaction of a diatomic molecule with a metal surface is presented. The potential includes the effects of an activation barrier to the adsorption process which has a value changing with position within the surface unit cell. The model accounts for recent experimental data for the diffraction of H 2 beams with energy in excess of the measured activation barrier. Wavepacket calculations for the diffracted intensities show features which should make H 2 diffraction experiments a detailed probe of the reactive-potential topology.

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