Theoretical investigation of charge transfer between N{sup 6+} and atomic hydrogen
Journal Article
·
· Physical Review. A
- Department of Physics and Astronomy and the Center for Simulational Physics, University of Georgia, Athens, Georgia 30602-2451 (United States)
- Fachbereich C-Mathematik und Naturwissenschaften, Bergische Universitaet Wuppertal, D-42097 Wuppertal (Germany)
- Physics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6372 (United States)
Charge transfer due to collisions of ground-state N{sup 6+}(1s {sup 2} S) with atomic hydrogen has been investigated theoretically using the quantum-mechanical molecular-orbital close-coupling (QMOCC) method, in which the adiabatic potentials and nonadiabatic couplings were obtained using the multireference single- and double-excitation configuration-interaction (MRDCI) approach. Total, n-, l-, and S-resolved cross sections have been obtained for energies between 10 meV/u and 10 keV/u. The QMOCC results were compared to available experimental and theoretical data as well as to merged-beams measurements and atomic-orbital close-coupling and classical trajectory Monte Carlo calculations. The accuracy of the QMOCC charge-transfer cross sections was found to be sensitive to the accuracy of the adiabatic potentials and couplings. Consequently, we developed a method to optimize the atomic basis sets used in the MRDCI calculations for highly charged ions. Since cross sections, especially those that are state selective, are necessary input for x-ray emission simulation of heliospheric and Martian exospheric spectra arising from solar wind ion-neutral gas collisions, a recommended set of state-selective cross sections, based on our evaluation of the calculations and measurements, is provided.
- OSTI ID:
- 22075479
- Journal Information:
- Physical Review. A, Journal Name: Physical Review. A Journal Issue: 2 Vol. 84; ISSN 1050-2947; ISSN PLRAAN
- Country of Publication:
- United States
- Language:
- English
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