Chin. Phys. B ›› 2012, Vol. 21 ›› Issue (12): 123102-123102.doi: 10.1088/1674-1056/21/12/123102

• ATOMIC AND MOLECULAR PHYSICS • 上一篇    下一篇

Theoretical study of potential energy curves, spectroscopic constants, and radiative lifetimes of low-lying states in SeO molecule

李瑞a b, 连科研a, 李奇楠b, 苗凤娟c, 闫冰a, 金明星a   

  1. a Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China;
    b Department of Physics, College of Science, Qiqihar University, Qiqihar 161006, China;
    c College of Communications and Electronics Engineering, Qiqihar University, Qiqihar 161006, China
  • 收稿日期:2012-04-03 修回日期:2012-06-20 出版日期:2012-11-01 发布日期:2012-11-01
  • 基金资助:
    Project supported by the National Magnetic Confinement Fusion Science Program of China (Grant No. 2010GB104003), the Fundamental Research Funds for the Central Universities, China (Grant Nos. 200903369 and 201103255), the Natural Science Foundation of Heilongjiang Province, China (Grant No. QC2011C092), and the Program for Young Teacher's Scientific Research in Qiqihar University, China (Grant Nos. 2010K-Z05 and 2010K-M31).

Theoretical study of potential energy curves, spectroscopic constants, and radiative lifetimes of low-lying states in SeO molecule

Li Rui (李瑞)a b, Lian Ke-Yan (连科研)a, Li Qi-Nan (李奇楠)b, Miao Feng-Juan (苗凤娟)c, Yan Bing (闫冰)a, Jin Ming-Xing (金明星)a   

  1. a Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China;
    b Department of Physics, College of Science, Qiqihar University, Qiqihar 161006, China;
    c College of Communications and Electronics Engineering, Qiqihar University, Qiqihar 161006, China
  • Received:2012-04-03 Revised:2012-06-20 Online:2012-11-01 Published:2012-11-01
  • Contact: Yan Bing E-mail:yanbing@jlu.edu.cn
  • Supported by:
    Project supported by the National Magnetic Confinement Fusion Science Program of China (Grant No. 2010GB104003), the Fundamental Research Funds for the Central Universities, China (Grant Nos. 200903369 and 201103255), the Natural Science Foundation of Heilongjiang Province, China (Grant No. QC2011C092), and the Program for Young Teacher's Scientific Research in Qiqihar University, China (Grant Nos. 2010K-Z05 and 2010K-M31).

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摘要： The low-lying potential energy curves of SeO molecule are computed by means of ab initio multireference configuration interaction technique, taking into account relativistic (scalar plus spin-orbit coupling) effects. The spectroscopic constants of Ω states for X3Σ-, a1Δ, b1Σ+, A3Π, A'3Δ, and A"3Σ+ states are obtained, and they are in good accordance with available experimental values. The Franck-Condon factors and transition dipole moments to the ground state are computed, and the natural radiative lifetimes of low-lying Ω states are theoretically obtained. Comparisons of the natural lifetimes of Ω states with previous experimental results and those of isovalent TeO molecule are made.

关键词: potential energy curves, spin-orbit coupling, lifetime, SeO molecule

Abstract: The low-lying potential energy curves of SeO molecule are computed by means of ab initio multireference configuration interaction technique, taking into account relativistic (scalar plus spin-orbit coupling) effects. The spectroscopic constants of Ω states for X3Σ-, a1Δ, b1Σ+, A3Π, A'3Δ, and A"3Σ+ states are obtained, and they are in good accordance with available experimental values. The Franck-Condon factors and transition dipole moments to the ground state are computed, and the natural radiative lifetimes of low-lying Ω states are theoretically obtained. Comparisons of the natural lifetimes of Ω states with previous experimental results and those of isovalent TeO molecule are made.

Key words: potential energy curves, spin-orbit coupling, lifetime, SeO molecule

中图分类号:  (Potential energy surfaces for excited electronic states)

  • 31.50.Df
31.15.aj (Relativistic corrections, spin-orbit effects, fine structure; hyperfine structure) 31.15.ag (Excitation energies and lifetimes; oscillator strengths)