Theoretical investigation of RbCs via two-component spin-orbit pseudopotentials: Spectroscopic constants and permanent dipole moment functions

Abstract

Potential energy curves for the 28 lowest LambdaSigma states and 49 Omega states of RbCs are obtained from large-scale multireference configuration interaction calculations using both spin-averaged and two-component spin-orbit energy-consistent effective core potentials. Spectroscopic properties of all states are compared across available data in literature to date. Variations of the permanent dipole moments on the internuclear separation (R) for the (1)Sigma(+), (3)Sigma(+), (1)Pi, and (3)Pi states are evaluated over a wide range of R. The most important effects of the spin-orbit interaction on the dipole moment distribution are discussed.