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Phys. Rev. A 67, 052705 (2003) [12 pages]

Hyperspherical close-coupling calculations for charge-transfer cross sections in He2++H(1s) collisions at low energies

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Chien-Nan Liu1,2, Anh-Thu Le1, Toru Morishita3, B. D. Esry1, and C. D. Lin1
1Department of Physics, Cardwell Hall, Kansas State University, Manhattan, Kansas 66506
2Institute of Physics, National Chiao Tung University, Hsinchu 300, Taiwan
3Department of Applied Physics and Chemistry, University of Electro-Communications, 1-5-1 Chofu-ga-oka, Chofu-shi, Tokyo 182-8585, Japan

Received 11 December 2002; published 23 May 2003

A theory for ion-atom collisions at low energies based on the hyperspherical close-coupling (HSCC) method is presented. In hyperspherical coordinates the wave function is expanded in analogy to the Born-Oppenheimer approximation where the adiabatic channel functions are calculated with B-spline basis functions while the coupled hyperradial equations are solved by a combination of R-matrix propagation and the slow/smooth variable discretization method. The HSCC method is applied to calculate charge-transfer cross sections for He2++H(1s)→He+(n=2)+H+ reactions at center-of-mass energies from 10 eV to 4 keV. The results are shown to be in general good agreement with calculations based on the molecular orbital (MO) expansion method where electron translation factors (ETF’s) or switching functions have been incorporated in each MO. However, discrepancies were found at very low energies. It is shown that the HSCC method can be used to study low-energy ion-atom collisions without the need to introduce the ad hoc ETF’s, and the results are free from ambiguities associated with the traditional MO expansion approach.

© 2003 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.67.052705
DOI:
10.1103/PhysRevA.67.052705
PACS:
34.70.+e, 31.15.Ja, 34.10.+x, 34.50.Pi