Theoretical Investigation of the Electronic Properties of the Dication BeRb2+.

The electronic properties of the dication BeRb2+ have been studied using an ab initio approach based on the use of non-empirical pseudopotentials and parameterized l dependent polarization potentials. The potential energy curves and their spectroscopic constants for the ground and the low lying electronic states of 2Σ+ symmetry have been determined. Results show that the 1-22Σ+ and 4-52Σ+ states are repulsive, while the 32Σ+ and 6-92Σ+ are metastable states. Some avoided crossings between the 2Σ+ states have been localized and analysed. Furthermore, the transition dipole moments from the ground state to the higher states of 2Σ+ and 2Π symmetries have been computed. [ABSTRACT FROM AUTHOR]