Fock-space relativistic coupled cluster study on the spectroscopic properties of the low-lying states of the radium monobromide RaBr molecule

•Fock-space relativistic coupled cluster calculations.•Potential energy curves.•Molecular spectroscopic constants.•Radiative properties.•Laser cooling scheme. The potential energy curves of the ground and five low-lying excited states of the RaBr molecule are calculated using the Fock-space relativi...

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Bibliographic Details
Published in:Journal of quantitative spectroscopy & radiative transfer 2021-12, Vol.276, p.107947, Article 107947
Main Authors: Osika, Yuliya, Shundalau, Maksim
Format: Article
Language:English
Subjects:
Fock-space coupled cluster calculations
Franck–Condon factors
Laser cooling
Potential energy curves
RaBr molecule
Radiative lifetimes
Vibrational states
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Summary:•Fock-space relativistic coupled cluster calculations.•Potential energy curves.•Molecular spectroscopic constants.•Radiative properties.•Laser cooling scheme. 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. [Display omitted]
ISSN:0022-4073
1879-1352
DOI:10.1016/j.jqsrt.2021.107947