Abstract
In this theoretical study, we investigate the electronic potential
energy curves, spectroscopic parameters, vibrational energy levels and
transition dipole moments for the diatomic dications BeRb2+, BeCs2+ and
SrRb2+. We consider an ab initio approach based on the use of
non-empirical pseudopotentials and parameterized l dependent
polarization potentials. Results show that 1-22Σ+ for BeRb2+, 1-52Σ+ for
BeCs2+ and 1-32Σ+ for SrRb2+ are repulsive. While the 32Σ+ for BeRb2+,
42Σ+ for BeCs2+ and 42Σ+ for SrRb2+ are metastable states. These states
can accommodate some vibrational energy levels. Interesting avoided
crossings between some 2+ states are localized and examined. Until now
no experimental and theoretical studies have been made for each system.
Consequently, we discuss our results by comparing with some data of
similar systems. Besides, the transition dipole moments of the ground
state to a few excited states are computed and presented. The
information associated with the electronic structures, spectroscopic
parameters as well as the transition properties that provide in this
paper is anticipated to serve as guidelines for further experimental and
theoretical researches for each diatomic dication considered in this
work.