title: Theoretical investigation of the dynamics of O((1)D→(3)P) electronic quenching by collision with Xe.
abstract: We present the quantum close-coupling treatment of spin-orbit induced transitions between the (1)D and (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.affiliation: Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218-2685, USA.
authors.forename: Paul J
authors.initials: PJ
authors.lastname: Dagdigian
authors.affiliation: Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland 20742-2021, USA.
authors.forename: Millard H
authors.initials: MH
authors.lastname: Alexander
authors.affiliation: Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland 20742-2021, USA.
authors.forename: Jacek
authors.initials: J
authors.lastname: Kłos