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Relativistic calculations on the transition electric dipole moments and radiative lifetimes of the spin-forbidden transitions in the antimony hydride molecule |
| Yong Liu(刘勇), Lu-Lu Li(李露露), Li-Dan Xiao(肖利丹), and Bing Yan(闫冰)† |
| Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China |
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Abstract Calculations on the spectroscopic constants and transition properties of the first three states (${\rm a}^{1}\Delta $, ${\rm b}^{1}\Sigma^{+}$, and X$^{3}\Sigma^-$) of the SbH molecule were performed under the relativistic framework using the exact two-component Hamiltonian (X2C). The potential energy curves in the Franck-Condon region were computed and compared with the previous values. Furthermore, the transition dipole moments for the weak spin-forbidden transitions (${\rm b}0^{+}$-X$_{1}0^{+}$, ${\rm b}0^{+}$-X$_{2}$1, X$_{1}0^{+}$-X$_{2}$1, and X$_{2}$1-${\rm a}$2) were reported. The spontaneous radiative lifetime of the ${\rm b}^{1}\Sigma^{+}$ ($\upsilon '=0$) state was calculated as 163.5 $\pm$ 7.5 μs, which is in reasonable agreement with the latest experimental value of 173 $\pm$ 3 μs. The spontaneous radiative lifetimes of the X$_{2}$1 ($\upsilon '=0$) state and the ${\rm a}$2 ($\upsilon '=0$) state were calculated to be 48.6 s and $\sim 8 $ ms, respectively. Our study is expected to be a benchmark transition property computation for comparison with other theoretical and experimental results. The datasets presented in this paper, including the transition dipole moments, are openly available at https://dx.doi.org/10.11922/sciencedb.j00113.00018.
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Received: 06 March 2022
Revised: 06 May 2022
Accepted manuscript online: 12 May 2022
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PACS:
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31.15.A-
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(Ab initio calculations)
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31.15.aj
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(Relativistic corrections, spin-orbit effects, fine structure; hyperfine structure)
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33.70.Ca
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(Oscillator and band strengths, lifetimes, transition moments, and Franck-Condon factors)
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| Fund: We are grateful for the computational support from the High Performance Computing Center (HPCC) of Jilin University and the high performance computing cluster Tiger@IAMP. Project supported by the National Natural Science Foundation of China (Grant No. 11874177). |
Corresponding Authors:
Bing Yan
E-mail: yanbing@jlu.edu.cn
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Cite this article:
Yong Liu(刘勇), Lu-Lu Li(李露露), Li-Dan Xiao(肖利丹), and Bing Yan(闫冰) Relativistic calculations on the transition electric dipole moments and radiative lifetimes of the spin-forbidden transitions in the antimony hydride molecule 2022 Chin. Phys. B 31 083101
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