中国物理B ›› 2008, Vol. 17 ›› Issue (8): 2890-2896.doi: 10.1088/1674-1056/17/8/023

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Calculations of state-selective differential cross sections for charge transfer in collisions between O3+ and H2

迟宝倩1, 刘 玲2, 王建国2   

  1. (1)College of Science, Shenyang Science and Technology University, Shenyang 110168, China; (2)Institute of Applied Physics and Computational Mathematics, Beijing 100088, China
  • 收稿日期:2008-02-20 修回日期:2008-03-27 出版日期:2008-08-20 发布日期:2008-08-20
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant Nos 10574018 and 10574020).

Calculations of state-selective differential cross sections for charge transfer in collisions between O3+ and H2

Chi Bao-Qian(迟宝倩)a), Liu Ling(刘玲)b), and Wang Jian-Guo(王建国)b)   

  1. a College of Science, Shenyang Science and Technology University, Shenyang 110168, China; b Institute of Applied Physics and Computational Mathematics, Beijing 100088, China
  • Received:2008-02-20 Revised:2008-03-27 Online:2008-08-20 Published:2008-08-20
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant Nos 10574018 and 10574020).

摘要: The non-dissociative charge-transfer processes in collisions between O$^{3 + }$ and H$_{2}$ are investigated by using the quantum-mechanical molecular-orbital coupled-channel (QMOCC) method. The adiabatic potentials and radial coupling matrix elements utilized in the QMOCC calculations are obtained with the spin-coupled valence-bond approach. Electronic and vibrational state-selective differential cross sections are presented for projectile energies of 0.1, 1.0 and 10.0\,eV/u in the H$_{2}$ orientation angles of 45$^\circ$ and 89$^{\circ}$. The electronic and the vibrational state-selective differential cross sections show similar behaviours: they decrease as the scattering angle increases, and beyond a specific angle the oscillating structures appear. Moreover, it is also found that the vibrational state-selective differential cross sections are strongly orientation-dependent, which provides a possibility to determine the orientations of molecule H$_{2}$ by identifying the vibrational state-selective differential scattering processes.

关键词: charge transfer, molecular-orbital coupled-channel method, infinite-order sudden approximation, state-selective differential cross sections

Abstract: The non-dissociative charge-transfer processes in collisions between O$^{3 + }$ and H$_{2}$ are investigated by using the quantum-mechanical molecular-orbital coupled-channel (QMOCC) method. The adiabatic potentials and radial coupling matrix elements utilized in the QMOCC calculations are obtained with the spin-coupled valence-bond approach. Electronic and vibrational state-selective differential cross sections are presented for projectile energies of 0.1, 1.0 and 10.0 eV/u in the H$_{2}$ orientation angles of 45$^\circ$ and 89$^{\circ}$. The electronic and the vibrational state-selective differential cross sections show similar behaviours: they decrease as the scattering angle increases, and beyond a specific angle the oscillating structures appear. Moreover, it is also found that the vibrational state-selective differential cross sections are strongly orientation-dependent, which provides a possibility to determine the orientations of molecule H$_{2}$ by identifying the vibrational state-selective differential scattering processes.

Key words: charge transfer, molecular-orbital coupled-channel method, infinite-order sudden approximation, state-selective differential cross sections

中图分类号:  (Charge transfer)

  • 34.70.+e
31.15.xw (Valence bond calculations) 33.15.Bh (General molecular conformation and symmetry; stereochemistry) 33.15.Mt (Rotation, vibration, and vibration-rotation constants) 33.20.Tp (Vibrational analysis)