Chinese Physics B, Volume. 29, Issue 9, (2020)

Charge transfer in low-energy collisions of Be3+ and B4+ ions with He

Kun Wang1... Yi-Zhi Qu1,†, Chun-Hua Liu2, Ling Liu3, Yong Wu3, H P Liebermann4 and Robert J. Buenker4 |Show fewer author(s)
Author Affiliations
  • 1School of Optoelectronics, University of Chinese Academy of Sciences, Beijing 00049, China
  • 2School of Physics, Southeast University, Nanjing 10094, China
  • 3Data Center for High Energy Density Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China
  • 4Fachbereich C-Mathematik und Naturwissenschaften, Bergische Universitat Wuppertal, D-2097 Wuppertal, Germany
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    Figures & Tables(14)
    Potential curves of BeHe3+ molecular ions refer to Table 1.
    Radial coupling matrix elements for BeHe3+.
    Rotational coupling matrix elements for BeHe3+.
    Potential curves of BHe4+ molecular ions refer to Table 2.
    Coupling matrix elements for BHe4+: (a) and (b) radial coupling matrix element between 1Σ+ states, (c) radial coupling matrix element between 1σ states, (d) rotational coupling matrix element between 1Σ+ and 1π states, (e) and (f) some important detailed radial coupling matrix element between exit states with the initial state.
    Comparison between the present SEC cross sections for the Be3+(1s) + He(1s2) collision with other theoretical results. Present QMOCC calculation considering the ETF effects (solid line with filled squares); semi-classical molecular orbital close coupling (SMOCC) results of Suzuki et al.[5] (dashed line with filled circles).
    State-selective cross sections of present QMOCC results (considering the ETF effects) and the results of Suzuki et al.[5] for electron capture to the 1s2s and 1s2p states of Be2+ ions.
    Cross sections of present QMOCC results (considering the ETF effects) and the results of Suzuki et al.[5] for electron capture to singlet and triplet states of Be2+ ions.
    Comparison between the present SEC cross sections for the B4+(1s) + He(1s2) collision with other theoretical[7,8,10] and experimental[11] results. Present QMOCC calculation considering the ETF effects (solid line with open squares); AOCC results of Hansen et al.[7] (dashed line); semi-classical results of Fritsch et al.[8] (dash dotted line) and Shimakura et al.[10] (dotted line). Experimental results of Iwai et al.[11] (filled circles with error bars).
    Comparison between the present state-selective SEC cross sections for the B4+(1s) + He(1s2) collision with other theoretical[7,8,10] results. Present QMOCC calculation considering the ETF effects (solid line); AOCC results of Hansen et al.[7] (dotted line); semi-classical results of Fritsch et al.[8] (dashed line) and Shimakura et al.[10] (dash dotted line).
    Comparison between the present DEC cross sections for the B4+(1s) + He(1s2) collision with other theoretical results.[7–9] Present QMOCC calculation considering the ETF effects (solid line with open circles); AOCC results of Hansen et al.[7] (dash dotted line); semi-classical results of Fritsch et al.[8] (dotted line); and full electron molecular expansion method of Bacchus-Montabonel[9] (dashed line).
    Comparison between the present state-selective DEC cross sections for the B4+(1s) + He(1s2) collision with other theoretical results.[7–9] Present QMOCC calculation considering the ETF effects (solid line); AOCC results of Hansen et al.[7] (dash dotted line); semi-classical results of Fritsch et al.[8] (dotted line); and full electron molecular expansion method of Bacchus-Montabonel[9] (dashed line).
    • Table 1. Asymptotic separated-atom energies for the states of BeHe3+. The bold 5 2Σ represents the initial state.

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      Table 1. Asymptotic separated-atom energies for the states of BeHe3+. The bold 5 2Σ represents the initial state.

      Molecular statesAsymptotic atomic statesEnergy/eV
      MRD-CIRef. [17]Error
      X 2ΣBe2+(1s21S) + He+(1s)−129.149−129.3090.160
      A 2ΣBe+(1s22s 2S) + He2+−93.090−93.1020.012
      ……
      Be+(1s2εl) + He2+−74.891
      1 2ΣBe2+(1s2s 3S) + He+(1s)−10.707−10.7170.010
      2 2ΣBe2+(1s2s 1S) + He+(1s)−7.655−7.6580.003
      3 2Σ, 1 2ΠBe2+(1s2p 3P0) + He+(1s)−7.388−7.3880.000
      4 2Σ, 2 2ΠBe2+(1s2p 1P0) + He+(1s)−5.603−5.6400.037
      5 2ΣBe3+(1s 2S) + He(1s2)000
      6 2ΣBe2+(1s3s 3S) + He+(1s)9.7319.7000.031
    • Table 2. Asymptotic separated-atom energies for the states of BHe4+. The bold 13 2Σ represents the initial state.

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      Table 2. Asymptotic separated-atom energies for the states of BHe4+. The bold 13 2Σ represents the initial state.

      Molecular statesAsymptotic atomic statesEnergy/eV
      MRD-CIRef. [17]Error
      X 2ΣB3+(1s21S) + He+(1s)−234.700−234.7840.084
      A 2ΣB2+(1s22s 2S) + He2+−218.190−218.2970.107
      ……
      B2+(1s2εl) + He2+−180.366
      1 2ΣB3+(1s2s 3S) + He+(1s)−36.277−36.219−0.058
      2 2ΣB3+(1s2s 1S) + He+(1s)−32.041−31.982−0.059
      3 2Σ, 1 2ΠB3+(1s2p 3P0) + He+(1s)−31.882−31.833−0.049
      4 2Σ, 2 2ΠB3+(1s2p 1P0) + He+(1s)−29.209−29.2220.013
      5 2ΣB2+(1s2s22S) + He2+−25.548−25.5670.019
      6 2Σ, 3 2ΠB2+(1s(2S)2s2p(3P0) 2P0) + He2+−19.142−19.1670.025
      7 2Σ, 4 2ΠB2+(1s(2S)2s2p(1P0) 2P0) + He2+−16.243−16.3210.078
      8 2Σ, 5 2Π, 1 2ΔB2+(1s2p22D) + He2+−13.944−14.0700.126
      6 2ΠB2+(1s2p22P) + He2+−13.035−13.1000.065
      9 2ΣB2+(1s2p22S) + He2+−9.078−9.2570.179
      10 2ΣB3+(1s3s 3S) + He+(1s)−1.424−1.354−0.070
      11 2ΣB3+(1s3s 1S) + He+(1s)−0.297−0.234−0.063
      12 2Σ, 7 2ΠB3+(1s3p 3P0) + He+(1s)−0.236−0.178−0.058
      13 2ΣB4+(1s 2S) + He(1s2)000
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    Kun Wang, Yi-Zhi Qu, Chun-Hua Liu, Ling Liu, Yong Wu, H P Liebermann, Robert J. Buenker. Charge transfer in low-energy collisions of Be3+ and B4+ ions with He[J]. Chinese Physics B, 2020, 29(9):

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    Paper Information

    Received: Apr. 25, 2020

    Accepted: --

    Published Online: Apr. 29, 2021

    The Author Email: Qu Yi-Zhi (yzqu@ucas.ac.cn)

    DOI:10.1088/1674-1056/aba276

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