Ab initio calculation of H+He{sup +} charge-transfer cross sections for plasma physics

Journal Article · Thu Jul 15 04:00:00 EDT 2010 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.82.012708· OSTI ID:21442922

Loreau, J; Vaeck, N ^[1]; Sodoga, K ^[2]; Lauvergnat, D ^[2]; Desouter-Lecomte, M ^[2]

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1. Laboratoire de Chimie Quantique et Photophysique, Universite Libre de Bruxelles, CP 160/09 50, avenue F. D. Roosevelt, B-1050 Bruxelles (Belgium)
2. Laboratoire de Chimie Physique, Batiment 349, Universite de Paris-Sud, UMR8000, F-91405 Orsay (France)

The charge-transfer in low-energy (0.25 to 150 eV/amu) H(nl)+He{sup +}(1s) collisions is investigated using a quasimolecular approach for the n=2,3 as well as the first two n=4 singlet states. The diabatic potential energy curves of the HeH{sup +} molecular ion are obtained from the adiabatic potential energy curves and the nonadiabatic radial coupling matrix elements using a two-by-two diabatization method, and a time-dependent wave-packet approach is used to calculate the state-to-state cross sections. We find a strong dependence of the charge-transfer cross section on the principal and orbital quantum numbers n and l of the initial or final state. We estimate the effect of the nonadiabatic rotational couplings, which is found to be important even at energies below 1 eV/amu. However, the effect is small on the total cross sections at energies below 10 eV/amu. We observe that to calculate charge-transfer cross sections in an n manifold, it is only necessary to include states with n{sup '{<=}}n, and we discuss the limitations of our approach as the number of states increases.

• OSTI ID: 21442922
• Journal Information: Physical Review. A, Journal Name: Physical Review. A Journal Issue: 1 Vol. 82; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

70 PLASMA PHYSICS AND FUSION TECHNOLOGY
74 ATOMIC AND MOLECULAR PHYSICS
ATOM COLLISIONS
CHARGED PARTICLES
COLLISIONS
COUPLING
CROSS SECTIONS
ELEMENTS
ENERGY
ENERGY RANGE
EV RANGE
HELIUM IONS
HYDROGEN
ION COLLISIONS
IONS
MATRIX ELEMENTS
MOLECULAR IONS
NONMETALS
PLASMA
POTENTIAL ENERGY
QUANTUM NUMBERS
TIME DEPENDENCE
TOTAL CROSS SECTIONS
WAVE PACKETS