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

Journal Article · Fri Aug 07 04:00:00 EDT 2015 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4927704· OSTI ID:22493489

Kłos, Jacek ^[1]

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1. Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland 20742-2021 (United States)

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.

• OSTI ID: 22493489
• Journal Information: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 5 Vol. 143; ISSN JCPSA6; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

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