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Test of Approximations to Surface Motion in Gas−Surface Dynamics: Linear versus Quadratic Coupling for Ts = 0 K

Authors :
Bret Jackson
Stephen Holloway
Zhisong Wang
George R. Darling
Source :
The Journal of Physical Chemistry B. 106:8422-8428
Publication Year :
2002
Publisher :
American Chemical Society (ACS), 2002.

Abstract

A coupled wave vector formalism is applied to compute the reduced density matrix for dissociation and inelastic scattering of D2 molecules on Cu surfaces at finite temperature. The effect of lattic...

Details

ISSN :
15205207 and 15206106
Volume :
106
Database :
OpenAIRE
Journal :
The Journal of Physical Chemistry B
Accession number :
edsair.doi...........583809bd726938fb1eda4d84041d4a02
Full Text :
https://doi.org/10.1021/jp020938+