S. Holloway et Gr. Darling, DISSOCIATIVE ADSORPTION OF H-2 - TIME-DEPENDENT QUANTUM STUDIES, Applied physics A: Materials science & processing, 61(5), 1995, pp. 511-517
In this short review we consider some selected results for the dissoci
ation of hydrogen on metal surfaces. In particular we focus our attent
ion on the effects that surface corrugation have on the dissociation a
nd also how rotations and vibrations couple in the interaction region.
Results from time dependent quantum wavepacket calculations have been
particularly helpful in forming our ideas of how diatomics dissociate
. We describe this method along with two examples of propagation schem
es. The power of limited dimensional models to rationalize experimenta
l observations is clearly demonstrated.