Chin. Phys. Lett.  2021, Vol. 38 Issue (11): 113401    DOI: 10.1088/0256-307X/38/11/113401
Ab Initio Study of Single- and Double-Electron Capture Processes in Collisions of He$^{2+}$ Ions and Ne Atoms
Xiao-Xia Wang1, Kun Wang2, Yi-Geng Peng3, Chun-Hua Liu4, Ling Liu5, Yong Wu5, Heinz-Peter Liebermann6, Robert J. Buenker6, and Yi-Zhi Qu1*
1College of Material Sciences and Optoelectronic Technology, University of Chinese Academy of Sciences, Beijing 100049, China
2Institute of Environmental Science, Shanxi University, Taiyuan 030006, China
3Department of Applied Physics, Nanjing University of Science and Technology, Nanjing 210094, China
4School of Physics, Southeast University, Nanjing 210094, China
5Data Center for High Energy Density Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China
6Fachbereich C-Mathematik und Naturwissenschaften, Bergische Universitat Wuppertal, D-42097 Wuppertal, Germany
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Xiao-Xia Wang, Kun Wang, Yi-Geng Peng et al  2021 Chin. Phys. Lett. 38 113401
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Abstract The single- and double-electron capture (SEC, DEC) processes of He$^{2+}$ ions colliding with Ne atoms are studied by utilizing the full quantum-mechanical molecular-orbital close-coupling method. Total and state-selective SEC and DEC cross sections are presented in the energy region of 2 eV/u to 20 keV/u. Results show that the dominant reaction channel is Ne$^{+}$(2$s2p^{6}$ $^{2}\!S$) + He$^{+}$(1$s$) in the considered energy region due to strong couplings with the initial state Ne(2$s^{2}2p^{6}$ $^{1}\!S$) + He$^{2+}$ around the internuclear distance of 4.6 a.u. In our calculations, the SEC cross sections decrease initially and then increase whereby, the minimum point is around 0.38 keV/u with the increase of collision energies. After considering the effects of the electron translation factor (ETF), the SEC cross sections are increased by 15%–25% nearby the energy region of keV/u and agree better with the available results. The DEC cross sections are smaller than those of SEC because of the larger energy gaps and no strong couplings with the initial state. Due to the Demkov-type couplings between DEC channel Ne$^{2+}$(2s$^{2}2p^{4}$ $^{1}\!S$) + He(1$s^{2}$) and the dominating SEC channel Ne$^{+}$(2$s2p^{6}$ $^{2}\!S$) + He$^{+}$(1$s$), the DEC cross sections increase with increasing impact energies. Good consistency can also be found between the present DEC and the experimental measurements in the overlapping energy region.
Received: 02 August 2021      Published: 27 October 2021
PACS:  34.70.+e (Charge transfer)  
  34.20.-b (Interatomic and intermolecular potentials and forces, potential energy surfaces for collisions)  
Fund: Supported by the National Natural Science Foundation of China (Grant Nos. 11774344 and 11474033), and the National Key Research and Development Program of China (Grant No. 2017YFA0402300).
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Xiao-Xia Wang
Kun Wang
Yi-Geng Peng
Chun-Hua Liu
Ling Liu
Yong Wu
Heinz-Peter Liebermann
Robert J. Buenker
and Yi-Zhi Qu
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