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Title: Theoretical investigation of the dynamics of O({sup 1}D→{sup 3}P) electronic quenching by collision with Xe

We present the quantum close-coupling treatment of spin-orbit induced transitions between the {sup 1}D and {sup 3}P states of an atom in collisions with a closed-shell spherical partner. In the particular case of O colliding with Xe, we used electronic structure calculations to compute the relevant potential energy curves and spin-orbit coupling matrix elements. We then carried out quantum scattering calculations of integral and differential quenching cross sections as functions of the collision energy. The calculated differential cross sections for electronic quenching are in reasonable agreement with measurements [Garofalo et al., J. Chem. Phys. 143, 054307 (2015)]. The differential cross sections exhibit pronounced oscillations as a function of the scattering angle. By a semiclassical analysis, we show that these oscillations result from quantum mechanical interference between two classical paths.
Authors:
 [1] ;  [2] ;  [3] ;  [2]
  1. Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218-2685 (United States)
  2. Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland 20742-2021 (United States)
  3. (United States)
Publication Date:
OSTI Identifier:
22493489
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 143; Journal Issue: 5; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; ATOM COLLISIONS; ATOMS; D STATES; DIFFERENTIAL CROSS SECTIONS; ELECTRONIC STRUCTURE; L-S COUPLING; MATRIX ELEMENTS; OSCILLATIONS; OXYGEN; P STATES; POTENTIAL ENERGY; QUANTUM MECHANICS; SCATTERING; SEMICLASSICAL APPROXIMATION; SPIN; XENON