R-matrix theory for molecule--surface scattering: Rotationally inelastic scattering of HD from smooth metal surfaces

Journal Article · Wed Aug 15 00:00:00 EDT 1984 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.447839· OSTI ID:6652519

Whaley, K B; Light, J C

Wigner R-matrix theory is used to treat the rotationally inelastic scattering of HD from smooth metal surfaces. Calculations performed within the assumption of a flat surface show the advantages of this technique relative to propagative R-matrix techniques in the physical interpretation of rotationally mediated selective adsorption resonances. An optical potential is used to describe dissipative scattering at finite surface temperatures and comparison is made to the experimental results of Cowin et al. for HD/Pt(111).

• Research Organization: The James Franck Institute and The Department of Chemistry, The University of Chicago, Chicago, Illinois 60637
• OSTI ID: 6652519
• Journal Information: J. Chem. Phys.; (United States), Vol. 81:4
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
HYDROGEN DEUTERIDE
COLLISIONS
ENERGY-LEVEL TRANSITIONS
PLATINUM
MOLECULE COLLISIONS
ROTATIONAL STATES
SURFACES
DEUTERIDES
DEUTERIUM COMPOUNDS
ELEMENTS
ENERGY LEVELS
EXCITED STATES
HYDROGEN COMPOUNDS
METALS
PLATINUM METALS
TRANSITION ELEMENTS
640301* - Atomic
Molecular & Chemical Physics- Beams & their Reactions