QUANTUM CHEMICAL CALCULATION OF THE LOWEST ELECTRONIC STATES OF KRb AND TRANSITION PROPERTIES

Abstract

The excited states of the KRb diatomic are little known. All electronic states of KRb dissociating into the $5s + 4s, 5_{p} + 4s, 5s + 4p$, and $4d + 4s$ are studied with quantum chemical calculations. Small-core relativistic pseudopotentials of Christiansen et al. and a large basis set were used, and extensive valence and core configuration interactions were done. The potential energy curves, the nature of the wave functions, and the spectroscopic constants for these states will be reported. The transition dipole moments and the relative absorption intensities from the ground state vibronic states to the excited vibronic states.