Journal of Quantitative Spectroscopy and Radiative Transfer ( IF 2.3 ) Pub Date : 2021-09-20 , DOI: 10.1016/j.jqsrt.2021.107947 Yuliya Osika 1 , Maksim Shundalau 1
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The potential energy curves of the ground and five low-lying excited states of the RaBr molecule are calculated using the Fock-space relativistic coupled cluster theory for the first time. A number of properties such as the electronic term energies, equilibrium internuclear distances, transition and permanent dipole moments, sequences of vibrational energies, harmonic vibrational frequencies, Franck–Condon factors, and radiative lifetimes are predicted. The results of this study show that RaBr molecules can be used for the direct laser cooling. The comparison to the previous theoretical studies of the RaF and RaCl molecules is also provided.
中文翻译：
一溴化镭RaBr分子低位态光谱性质的福克空间相对论耦合簇研究
首次使用Fock-空间相对论耦合簇理论计算了RaBr分子的基态和五个低位激发态的势能曲线。预测了许多特性，例如电子项能量、平衡核间距离、跃迁和永久偶极矩、振动能量序列、谐波振动频率、Franck-Condon 因子和辐射寿命。这项研究的结果表明，RaBr 分子可用于直接激光冷却。还提供了与先前对 RaF 和 RaCl 分子的理论研究的比较。
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