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Quantum stochastic approach for molecule/surface scattering. II. Adsorption resonances of He atoms on Xe overlayers

J. Chem. Phys. 101, 2446 (1994); doi:10.1063/1.467684

Issue Date: 1 August 1994

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Eric R. Bittner and John C. Light
The James Franck Institute and the Department of Chemistry, The University of Chicago, Chicago, Illinois 60637
He scattering from Xe monolayers adsorbed onto Ag substrates is studied using a quantum stochastic method. Both the He atom and the surface and bulk modes are treated quantum mechanically using a mean-field partitioning of the quantum Liouville equation. The resulting equations of motion permit the evaluation of the reduced density matrix of the He atom subsystem by averaging over a series of ``quantum trajectories.'' The final reduced density matrix of the atomic subsystem, when projected onto the asymptotic states, provides an accurate estimate of energy transfer processes between the atom and the surface. Our calculations indicate that inelastic energy transfer is enhanced near adsorption resonances due primarily to the increased lifetime of the atom near the surfaces as evidenced by marked deviations from the Debye–Waller thermal attenuation rates. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.
History: Received 22 March 1994; accepted 11 April 1994
Permalink: http://link.aip.org/link/?JCPSA6/101/2446/1
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KEYWORDS and PACS

Keywords
PACS
  • 82.65.Pa
    Physical chemistry Surface and interface chemistry Surface-enhanced molecular states and other gassurface interactions
  • 82.20.Fd
    Physical chemistry Chemical kinetics Stochastic and trajectory models, other theories and models
  • 03.65.-w
    Classical and quantum physics: mechanics and fields Quantum mechanics
  • YEAR: 1994

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ISSN:
0021-9606 (print)   1089-7690 (online)
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REFERENCES (28)
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