Theoretical study of the electronic structure of the KRb molecule

Upon request of experimentalists now engaged in high-resolution spectroscop ic investigations of the molecule KRb, we have determined the potential ene rgy of electronic states (2S+1)A((+)) correlating up to the limit K(5p) + R b(Ss) and of electronic states Omega((+/-)) correlating up to the limit K(4 s) + Rb(4d(2)D(3/2)) in a large range of internuclear distance R. For the f ive states so far observed, the agreement between calculated and experiment al molecular constants is good with Delta R-e < 0.08 Angstrom, omega(e) < 6 cm(-1) and Delta T-e < 140 cm(-1). Extensive numerical data for energies v ersus R have been listed in a data base available at http://www.idealibrary .com. (C) 2000 Academic Press.