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

Abstract

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.