Multi-reference perturbation theory study on the RaCl molecule promising for the laser cooling

摘要

The potential energy curves of the ground and eight low-lying excited atomic and ionic terms of the RaCl molecule are calculated for the first time using the multi-reference perturbation theory method at the CASSCF/XMCQDPT2 level of theory including the spin-orbit coupling. The electronic term energies, equilibrium internuclear distances, dissociation energies, transition dipole moments, sequences of vibrational energies, harmonic vibrational frequencies, Franck-Condon factors, and radiative lifetimes are predicted. The data obtained in this study suggests the possibility of the direct laser cooling of the RaCl molecules.