Chem. J. Chinese Universities ›› 2010, Vol. 31 ›› Issue (7): 1442.

• Articles • Previous Articles     Next Articles

Ab Initio Calculation of Transition Moment in Ar-S2(B3Σu-X3Σg-) Complex

GAI Zhi-Qiang1, YU Jun-Hua1*, YAN Bing2, YU Xin1, LI Rui2, PAN Shou-Fu2, FENG Wei2, CHEN De-Ying1   

  1. 1. National Key Laboratory of Science and Technology on Tunable Laser, Harbin Institute of Technology, Harbin 150080, China;
    2. Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China
  • Received:2009-11-20 Online:2010-07-10 Published:2010-07-10
  • Contact: YU Jun-Hua. E-mail: gaizq@yahoo.com.cn
  • Supported by:

    国家自然科学基金(批准号: 10604022)和黑龙江省科技攻关计划项目(批准号: GC03A115)资助.

Abstract:

The Ar-S2 complex was investigated by the highly correlated multi-reference configuration interaction method. The potential energy curves for Ar-S2(X3Σg-) and Ar-S2(B3Σu-) were obtained. The transition moments of S2(B3Σu-X3Σg-) dependence of the relative position of Ar atom and S2 molecule was calculated. The molecular orbitals collapse of S2 by the Ar atom was analyzed. Effect of the Ar atom on the S2 molecular radiation which pumped by high voltage fast discharge was further discussed.

Key words: Ar-S2 complex; Transition dipole moment; Multi-reference configuration interaction

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