Molecule opacities of X2Σ+, A2Π, and B2Σ+ states of CS+

doi:10.1088/1674-1056/28/5/053101

中国物理B ›› 2019, Vol. 28 ›› Issue (5): 53101-053101.doi: 10.1088/1674-1056/28/5/053101

• SPECIAL TOPIC—Recent advances in thermoelectric materials and devices • 上一篇下一篇

Molecule opacities of X²Σ⁺, A²Π, and B²Σ⁺ states of CS⁺

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)

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

收稿日期:2019-01-29 修回日期:2019-02-28 出版日期:2019-05-05 发布日期:2019-05-05
通讯作者: Rui Li, Yong Wu E-mail:lirei01@163.com;wu_yong@iapcm.ac.cn
基金资助:
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).

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

Received:2019-01-29 Revised:2019-02-28 Online:2019-05-05 Published:2019-05-05
Contact: Rui Li, Yong Wu E-mail:lirei01@163.com;wu_yong@iapcm.ac.cn
Supported by:
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).

摘要/Abstract

摘要：

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.

关键词: CS⁺, dipole moment, transition dipole moment, opacity

Abstract:

Key words: CS⁺, dipole moment, transition dipole moment, opacity

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

31.50.Df

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

林晓贺, 梁桂颖, 王建国, 彭裔耕, 邵彬, 李瑞, 吴勇. Molecule opacities of X²Σ⁺, A²Π, and B²Σ⁺ states of CS⁺[J]. 中国物理B, 2019, 28(5): 53101-053101.

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⁺[J]. Chin. Phys. B, 2019, 28(5): 53101-053101.

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Molecule opacities of X²Σ⁺, A²Π, and B²Σ⁺ states of CS⁺

Molecule opacities of X²Σ⁺, A²Π, and B²Σ⁺ states of CS⁺

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