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Dynamics of spin–orbit recoupling in collisions of alkali atoms with noble-gas atoms using atomic core potentials
Spin–orbit recoupling in alkali-rare-gas atom colliding pairs is developed within a first principles description of the quantum dynamics introducing l-dependent pseudopotentials and including two...

Dynamics of electronic excitation in collisions of alkali atoms with noble-gas atoms using atomic core potentials

J. Chem. Phys. 119, 12308 (2003); doi:10.1063/1.1625916

Issue Date: 15 December 2003

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A. Reyes and D. A. Micha
Quantum Theory Project, Departments of Chemistry and Physics, University of Florida, Gainesville, Florida 32611-8435
The electronic excitation of the valence electron of alkali atoms in collisions with noble gas atoms has been studied with a procedure that combines l-dependent pseudopotentials including two and three-body polarization terms and a first principles description of the dynamics based on the eikonal approximation of atomic motions and time-dependent molecular orbitals. We discuss the effects of the atomic basis set size on the calculations. We present results for interaction potentials and couplings, the time-dependence of atomic populations, and state-to-state integral cross sections in the keV range. Our results for Li–He, Li–Ne, Na–He, and Na–Ne are in very good agreement with other theoretical and experimental data. ©2003 American Institute of Physics.
History: Received 13 May 2003; accepted 23 September 2003
Permalink: http://link.aip.org/link/?JCPSA6/119/12308/1
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EDITORIALLY RELATED

  1. Dynamics of spin–orbit recoupling in collisions of alkali atoms with noble-gas atoms using atomic core potentials
    A. Reyes et al.
    J. Chem. Phys. 119, 12316 (2003)

KEYWORDS and PACS

Keywords
PACS
  • 34.50.Fa
    Electronic excitation and ionization of atoms including beam–foil excitation and ionization
  • YEAR: 2003

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0021-9606 (print)   1089-7690 (online)
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