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Full-dimensional quantum simulation of X2Σ+ → (2)2Σ+ absorption spectrum of SrLi

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Abstract

The absorption spectrum of the SrLi molecule from the ground X2Σ+ state to the excited (2)2Σ+ state is simulated with molecular rotation and vibration taken into account. By taking 84Sr6Li as an example, the spectra at three different temperatures T = 1, 10 and 100 K are obtained. The absorption spectrum from the initial vibrational level v = 0 of X2Σ+ to the vibrational levels v′= 0–7 of (2)2Σ+ covers the range from 8400 to 10,200 cm−1. The absorption peak corresponds to the transition v = 0 → v′= 1, of which the rotational quantum number J′ of the excited state has been determined in detail for the P and R branches. The band head occurs in R branch for T = 10 and 100 K, corresponding to the excitation to the rotational levels J′ = 5 ~ 8. Additionally, the spectra for six combinations of the isotopes (84Sr/85Sr/88Sr and 6Li/7Li) have been compared. Due to the isotope effect, for transitions to v′≥ 1, the corresponding spectral bands gradually separate into two classes, of which the spectral bands for xSr7Li are energetically lower than those for xSr6Li (x = 84, 85, 88).

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Data sets generated during the current study are available from the corresponding author on reasonable request.

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Acknowledgements

The project is supported by the National Key R&D Program of China (No. 2018YFA503); the National Natural Science Foundation of China (No. 12174044); International Cooperation Fund Project of DBJI (No. ICR2105); the Fundamental Research Funds for the Central Universities (DUT21LK08). We gratefully acknowledge HZWTECH for providing computation facilities.

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Authors and Affiliations

  1. Department of Physics, Dalian University of Technology, Dalian, China

    Jie Bai, Qianqian Guo, Xuhui Bai, Yuyao Bai, Shuo Wang & Yong-Chang Han

  2. Department of Physics, Shanxi Vocational University of Engineering Science and Technology, Jinzhong, China

    Jin-Wei Hu

  3. State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China

    Bina Fu

  4. DUT-BSU Joint Institute, Dalian University of Technology, Dalian, China

    Maksim Shundalau & Yong-Chang Han

  5. Physics Department, Belarusian State University, Minsk, Belarus

    Maksim Shundalau

  6. Department of Information Engineering and Electrical and Applied Mathematics/DIEM, University of Salerno, Fisciano, Salerno, Italy

    Maksim Shundalau

  7. Dalian Key Laboratory of Quantum Technology, Dalian University of Technology, Dalian, 116024, China

    Yong-Chang Han

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  1. Jie Bai
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Bai, J., Hu, JW., Guo, Q. et al. Full-dimensional quantum simulation of X2Σ+ → (2)2Σ+ absorption spectrum of SrLi. Eur. Phys. J. Plus 138, 557 (2023). https://doi.org/10.1140/epjp/s13360-023-04186-9

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