Relativistic pseudopotential calculations of the ground-state spectroscopic properties of HBr

Abstract

Spectroscopic properties are predicted for the diatomic HBr using a scalar relativistic pseudopotential approach. The potential curves are discussed at different levels of theory. The dipole moment and static dipole polarizability curves are calculated by using a finite field technique. Rotational, vibrational and isotope effects on molecular properties are investigated. The calculated spectroscopic constants are in good agreement with the available experimental data.