中国物理B ›› 2022, Vol. 31 ›› Issue (10): 103101-103101.doi: 10.1088/1674-1056/ac834f

• ATOMIC AND MOLECULAR PHYSICS • 上一篇    下一篇

Molecule opacity study on low-lying states of CS

Rui Li(李瑞)1,2, Jiqun Sang(桑纪群)1, Xiaohe Lin(林晓贺)3,2,†, Jianjun Li(李建军)1, Guiying Liang(梁桂颖)4, and Yong Wu(吴勇)2,5,‡   

  1. 1. Department of Physics, College of Science, Qiqihar University, Qiqihar 161006, China;
    2. National Key Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China;
    3. Faculty of Foundation, Space Engineering University, Beijing 101416, China;
    4. School of Data Science and Artificial Intelligence, Jilin Engineering Normal University, Changchun 130052, China;
    5. HEDPS, Center for Applied Physics and Technology, Peking University, Beijing 100084, China
  • 收稿日期:2022-06-17 修回日期:2022-07-21 出版日期:2022-10-16 发布日期:2022-09-24
  • 通讯作者: Xiaohe Lin, Yong Wu E-mail:xiaohelin1989@163.com;wu yong@iapcm.ac.cn
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 11934004 and 12203106), Fundamental Research Funds in Heilongjiang Province Universities, China (Grant No. 145109127), and the Scientific Research Plan Projects of Heilongjiang Education Department, China (Grant Nos. WNCGQJKF202103 and DWCGQKF202104).

Molecule opacity study on low-lying states of CS

Rui Li(李瑞)1,2, Jiqun Sang(桑纪群)1, Xiaohe Lin(林晓贺)3,2,†, Jianjun Li(李建军)1, Guiying Liang(梁桂颖)4, and Yong Wu(吴勇)2,5,‡   

  1. 1. Department of Physics, College of Science, Qiqihar University, Qiqihar 161006, China;
    2. National Key Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China;
    3. Faculty of Foundation, Space Engineering University, Beijing 101416, China;
    4. School of Data Science and Artificial Intelligence, Jilin Engineering Normal University, Changchun 130052, China;
    5. HEDPS, Center for Applied Physics and Technology, Peking University, Beijing 100084, China
  • Received:2022-06-17 Revised:2022-07-21 Online:2022-10-16 Published:2022-09-24
  • Contact: Xiaohe Lin, Yong Wu E-mail:xiaohelin1989@163.com;wu yong@iapcm.ac.cn
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 11934004 and 12203106), Fundamental Research Funds in Heilongjiang Province Universities, China (Grant No. 145109127), and the Scientific Research Plan Projects of Heilongjiang Education Department, China (Grant Nos. WNCGQJKF202103 and DWCGQKF202104).

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摘要： CS molecule, which plays a key role in atmospheric and astrophysical circumstances, has drawn great attention for long time. Owing to its large state density, the detailed information of the electronic structure of CS is still lacking. In this work, the high-level MRCI+Q method is used to compute the potential energy curves, dipole moments and transition dipole moments of singlet and triplet states correlated with the lowest dissociation limit of CS, based on which high accurate vibration—rotation levels and spectroscopic constants of bound states are evaluated. The opacity of CS relevant to atmospheric circumstance is computed at a pressure of 100 atms for different temperatures. With the increase of temperature, band systems from different transitions mingle with each other, and band boundaries become blurred, which are originated from the increased population on vibrational excited states and electronic excited states at high temperature.

关键词: CS, transition dipole moment, opacity, excited state

Abstract: CS molecule, which plays a key role in atmospheric and astrophysical circumstances, has drawn great attention for long time. Owing to its large state density, the detailed information of the electronic structure of CS is still lacking. In this work, the high-level MRCI+Q method is used to compute the potential energy curves, dipole moments and transition dipole moments of singlet and triplet states correlated with the lowest dissociation limit of CS, based on which high accurate vibration—rotation levels and spectroscopic constants of bound states are evaluated. The opacity of CS relevant to atmospheric circumstance is computed at a pressure of 100 atms for different temperatures. With the increase of temperature, band systems from different transitions mingle with each other, and band boundaries become blurred, which are originated from the increased population on vibrational excited states and electronic excited states at high temperature.

Key words: CS, transition dipole moment, opacity, excited state

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)