Chin. Phys. B ›› 2013, Vol. 22 ›› Issue (4): 43102-043102.doi: 10.1088/1674-1056/22/4/043102

• ATOMIC AND MOLECULAR PHYSICS • 上一篇    下一篇

Multireference calculations on low-lying states and X3Πu-3Πg absorption spectra of indium dimer

周凌松, 闫冰, 金明星   

  1. Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China
  • 收稿日期:2012-07-13 修回日期:2012-09-03 出版日期:2013-03-01 发布日期:2013-03-01
  • 基金资助:
    Project supported by the National Magnetic Confinement Fusion Science Program of China (Grant No. 2010GB104003) and the Fundamental Research Funds for the Central Universities (Grant No. 450060481375).

Multireference calculations on low-lying states and X3Πu-3Πg absorption spectra of indium dimer

Zhou Ling-Song (周凌松), Yan Bing (闫冰), Jin Ming-Xing (金明星)   

  1. Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China
  • Received:2012-07-13 Revised:2012-09-03 Online:2013-03-01 Published:2013-03-01
  • 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) and the Fundamental Research Funds for the Central Universities (Grant No. 450060481375).

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摘要： Multireference configuration interaction calculations are carried out on eleven Λ-S low-lying electronic states of indium dimer. The Ω states are investigated with spin-orbit pseudopotentials via state-interacting method, and characterized with fitted spectroscopic constants based on computed potential energy curves. The vibrational structures of double-potential well 0g+(I) (3Σ g-) state are analyzed. The experimentally observed absorption spectrum centred at ～ 13000 cm-1 is simulated and assigned to X3Πu (v' =0)-3Π g transition according to the present ab initio calculations on transition energies and dipole moments functions.

关键词: indium dimer, spin-orbit coupling, spectroscopic constants, transition dipole moment

Abstract: Multireference configuration interaction calculations are carried out on eleven Λ-S low-lying electronic states of indium dimer. The Ω states are investigated with spin-orbit pseudopotentials via state-interacting method, and characterized with fitted spectroscopic constants based on computed potential energy curves. The vibrational structures of double-potential well 0g+(I) (3Σ g-) state are analyzed. The experimentally observed absorption spectrum centred at ～ 13000 cm-1 is simulated and assigned to X3Πu (v' =0)-3Π g transition according to the present ab initio calculations on transition energies and dipole moments functions.

Key words: indium dimer, spin-orbit coupling, spectroscopic constants, transition dipole moment

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

  • 31.50.Df
33.15.Mt (Rotation, vibration, and vibration-rotation constants) 32.70.Cs (Oscillator strengths, lifetimes, transition moments) 31.30.J- (Relativistic and quantum electrodynamic (QED) effects in atoms, molecules, and ions)