https://doi.org/10.1140/epjd/e2017-80020-3
Regular Article
Ab initio study of charge transfer in low energy collisions of B4+ with H
1 School of Physics, Southeast University, Nanjing 210094, P.R. China
2 Institute of Applied Physics and Computational Mathematics, PO Box 8009, Beijing 100088, P.R. China
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e-mail: liuch@seu.edu.cn
Received: 10 January 2017
Received in final form: 23 April 2017
Published online: 20 June 2017
The charge transfer processes in collisions of B4+(1s) ions with H(1s) atoms are investigated by using the quantum-mechanical molecular orbital close-coupling method with electron translational effects included in the impact energy region of 10-5 − 20 keV/u. Molecular data with high accuracy are calculated using ab initio method. Our calculations clarified the controversy in the total and state-selective cross sections at low energies. The treatment of the core electron will influence the accuracy of the calculated molecular structure and then sensitively influence the charge transfer cross sections in the low energy region. The rotational couplings play an important role in the state-selective cross sections at energies above 50 eV/u, but weakly influence the total cross sections for this collision system.
Key words: Atomic and Molecular Collisions
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag 2017
