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
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.
(Interatomic and intermolecular potentials and forces, potential energy surfaces for collisions)
引用本文:
. [J]. 中国物理快报, 2021, 38(11): 113401-.
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. Ab Initio Study of Single- and Double-Electron Capture Processes in Collisions of He$^{2+}$ Ions and Ne Atoms. Chin. Phys. Lett., 2021, 38(11): 113401-.
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