Ab initio investigation of electron capture by Cl{sup 7+} ions from H

Journal Article · Wed Aug 15 04:00:00 EDT 2007 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.76.022701· OSTI ID:21011425

Zhao, L B; Stancil, P C ^[1]; Watanabe, A ^[2]; Kimura, M ^[3]

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1. Department of Physics and Astronomy and Center for Simulational Physics, University of Georgia, Athens, Georgia 30602-2451 (United States)
2. Information, Media and Education Square, Ochanomizu University, Tokyo 112-8610 (Japan)
3. Graduate School of Sciences, Kyushu University, Fukuoka 812-8581 (Japan)

An investigation of charge transfer in collisions of ground-state Cl{sup 7+} with H has been conducted based on a fully quantum-mechanical molecular-orbital close-coupling (QMOCC) approach. The charge-transfer process Cl{sup 7+}({sup 1}S)+H{yields}Cl{sup 6+}(2p{sup 6}nl {sup 2}S,{sup 2}P{sup o},{sup 2}D,{sup 2}F{sup o},{sup 2}G)+H{sup +} with n=5 and 6 is taken into account for collision energies between 10{sup -4} eV/u and 1 keV/u. The relevant adiabatic potentials and nonadiabatic coupling matrix elements for the ClH{sup 7+} system are evaluated with the configuration-interaction method. The investigation shows that electron capture into the 5d, 5f, 5g, and 6p states dominates for collision energies less than {approx}1 eV/u, while above 100 eV/u the 5s, 5p, 5d, and 6p are the primary capture channels. Comparison with experimental data for collisions of Cl{sup 7+}({sup 1}S) with D reveals a discrepancy over the full range of measured energies (5-430 eV/u), while no significant isotope effect is found for QMOCC calculations with deuterium. Furthermore, comparison with a previous calculation of the one-electron N{sup 7+}+H system, as well as measurements of the multielectron Al{sup 7+}+H and Fe{sup 7+}+H systems, suggests that the electronic structure of the core has a non-negligible effect on the charge-transfer process. A one-electron model for relative l distributions is found to agree with the QMOCC results for n=5 between 100 and 1000 eV/u, but fails at lower collision energies. Finally, state-selective and total rate coefficients are given for temperatures between 10 and 200 000 K.

• OSTI ID: 21011425
• Journal Information: Physical Review. A, Journal Name: Physical Review. A Journal Issue: 2 Vol. 76; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
CHARGE EXCHANGE
CHARGE STATES
CHLORINE
CHLORINE IONS
COMPARATIVE EVALUATIONS
CONFIGURATION INTERACTION
COUPLING
DEUTERIUM
ELECTRON CAPTURE
ELECTRON-ATOM COLLISIONS
ELECTRONIC STRUCTURE
ENERGY LEVELS
EV RANGE
GROUND STATES
HYDROGEN IONS 1 PLUS
ION-ATOM COLLISIONS
ISOTOPE EFFECTS
MATRIX ELEMENTS
MOLECULAR ORBITAL METHOD
MULTICHARGED IONS