An ab initio investigation on the low-lying electronic states of NaMg.

ABSTRACT

Theoretical investigations for NaMg have been performed on the icMRCI + Q level employing basis set of quintuple-ζ quality with corrections of core-valence correlation and scalar relativistic effect. The geometrical parameters, potential energy curves, vibrational energy levels, spectroscopic constants for the eight Λ-S states, with respect to the lowest four dissociation limits, are investigated. Through the spin-orbit coupling effect, these states split into fourteen Ω states. The permanent dipole moments, transition dipole moments, Einstein emission coefficients, radiative lifetimes and Franck-Condon factors for all Ω states are studied. The feasibility of performing laser cooling of NaMg has also been discussed. Our predictive results are anticipated to serve as guidelines for further researches on NaMg.