https://doi.org/10.1140/epjp/s13360-023-04186-9
Regular Article
Full-dimensional quantum simulation of X2Σ+ → (2)2Σ+ absorption spectrum of SrLi
1
Department of Physics, Dalian University of Technology, Dalian, China
2
Department of Physics, Shanxi Vocational University of Engineering Science and Technology, Jinzhong, China
3
State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China
4
DUT-BSU Joint Institute, Dalian University of Technology, Dalian, China
5
Physics Department, Belarusian State University, Minsk, Belarus
6
Department of Information Engineering and Electrical and Applied Mathematics/DIEM, University of Salerno, Fisciano, Salerno, Italy
7
Dalian Key Laboratory of Quantum Technology, Dalian University of Technology, 116024, Dalian, China
h
wangshuo@dlut.edu.cn
j
ychan@dlut.edu.cn
Received:
3
April
2023
Accepted:
11
June
2023
Published online:
22
June
2023
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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© The Author(s), under exclusive licence to Società Italiana di Fisica and Springer-Verlag GmbH Germany, part of Springer Nature 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
