A COMPARISON OF QUANTUM AND CLASSICAL DYNAMICS OF H-2 SCATTERING FROMCU(111)

Authors
KINNERSLEY AD DARLING GR HOLLOWAY S
Citation
Ad. Kinnersley et al., A COMPARISON OF QUANTUM AND CLASSICAL DYNAMICS OF H-2 SCATTERING FROMCU(111), Surface science, 377(1-3), 1997, pp. 563-566
Citations number
26
Categorie Soggetti
Chemistry Physical
Journal title
Surface science → ACNP
ISSN journal
00396028
Volume
377
Issue
1-3
Year of publication
1997
Pages
563 - 566
Database
ISI
SICI code
0039-6028(1997)377:1-3<563:ACOQAC>2.0.ZU;2-F
Abstract
In this work we report results for the scattering of H-2 molecules fro m a system showing dissociative adsorption. We compare the results of time-dependent quantum wavepacket calculations with those obtained usi ng classical mechanics. It is found that the trends in the scattering dynamics are broadly accounted for by the classical simulations. A not able exception to this is found for initial molecules having non-zero angular momentum.