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- Title
Ab initio study of charge transfer in low energy collisions of B with H.
- Authors
Liu, Chun-Hua; Wang, Jian-Guo
- Abstract
The charge transfer processes in collisions of B(1 s) ions with H(1 s) 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 − 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. Graphical abstract:
- Subjects
CHARGE transfer; MASS transfer; ION exchange (Chemistry); CHLORIDE-bicarbonate exchange; ION exchange process in saline water conversion; ION-permeable membranes
- Publication
European Physical Journal D (EPJ D), 2017, Vol 71, Issue 6, p1
- ISSN
1434-6060
- Publication type
Article
- DOI
10.1140/epjd/e2017-80020-3