Theoretical Study of the Electronic Structure of the KRb Molecule

Upon request of experimentalists now engaged in high-resolution spectroscopic investigations of the molecule KRb, we have determined the potential energy of electronic states (2S+1)Lambda((+)) correlating up to the limit K(5p) + Rb(5s) and of electronic states Omega((+/-)) correlating up to the limit K(4s) + Rb(4d(2)D(3/2)) in a large range of internuclear distance R. For the five states so far observed, the agreement between calculated and experimental molecular constants is good with DeltaR(e) < 0.08 ?, Deltaomega(e) < 6 cm(-1), and DeltaT(e) < 140 cm(-1). Extensive numerical data for energies versus R have been listed in a data base available at http://www.idealibrary.com. Copyright 2000 Academic Press.