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Molecule opacities of X2Σ+, A2Π, and B2Σ+ states of CS+ |
Xiao-He Lin(林晓贺)1,2, Gui-Ying Liang(梁桂颖)2, Jian-Guo Wang(王建国)2, Yi-Geng Peng(彭裔耕)2, Bin Shao(邵彬)1, Rui Li(李瑞)2,3, Yong Wu(吴勇)2,4 |
1 School of Physics, Beijing Institute of Technology, Beijing 100081, China;
2 Institute of Applied Physics and Computational Mathematics, Beijing 100088, China;
3 Department of Physics, College of Science, Qiqihar University, Qiqihar 161006, China;
4 HEDPS, Center for Applied Physics and Technology, Peking University, Beijing 100084, China |
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Abstract Carbon sulfide cation (CS+) plays a dominant role in some astrophysical atmosphere environments. In this work, the rovibrational transition lines are computed for the lowest three electronic states, in which the internally contracted multireference configuration interaction approach (MRCI) with Davison size-extensivity correction (+Q) is employed to calculate the potential curves and dipole moments, and then the vibrational energies and spectroscopic constants are extracted. The Frank-Condon factors are calculated for the bands of X2Σ+-A2Π and X2Σ+-B2Σ+ systems, and the band of X2Σ+-A2Π is in good agreement with the available experimental results. Transition dipole moments and the radiative lifetimes of the low-lying three states are evaluated. The opacities of the CS+ molecule are computed at different temperatures under the pressure of 100 atms. It is found that as temperature increases, the band systems associated with different transitions for the three states become dim because of the increased population on the vibrational states and excited electronic states at high temperature.
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Received: 29 January 2019
Revised: 28 February 2019
Accepted manuscript online:
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PACS:
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31.50.Df
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(Potential energy surfaces for excited electronic states)
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31.15.ag
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(Excitation energies and lifetimes; oscillator strengths)
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31.15.aj
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(Relativistic corrections, spin-orbit effects, fine structure; hyperfine structure)
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Fund: Project supported by the National Key Research and Development Program of China (Grant Nos. 2017YFA0402300 and 2017YFA0403200), the National Natural Science Foundation of China (Grant Nos. 11474032, 11534011, U15302611, and 1404180), and China Postdoctoral Science Foundation (Grant No. 2018M631404). |
Corresponding Authors:
Rui Li, Yong Wu
E-mail: lirei01@163.com;wu_yong@iapcm.ac.cn
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Cite this article:
Xiao-He Lin(林晓贺), Gui-Ying Liang(梁桂颖), Jian-Guo Wang(王建国), Yi-Geng Peng(彭裔耕), Bin Shao(邵彬), Rui Li(李瑞), Yong Wu(吴勇) Molecule opacities of X2Σ+, A2Π, and B2Σ+ states of CS+ 2019 Chin. Phys. B 28 053101
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