Excited interatomic potential energy surfaces of Rb + He that correlate with Rb terms 52S through 72S

Abstract

The excited state, spin-free, and spin–orbit interatomic potential energy surfaces of Rb + He which correlate with the Rb atomic terms 5²S, 5²P, 4²D, 6²S, 6²P, 5²D, and 7²S, are calculated at multi-reference configuration interaction level of theory using all-electron basis sets of triple and quadruple-zeta quality that have been contracted for Douglas–Kroll–Hess (DKH) Hamiltonian and includes core-valence correlation. Important features of the potential energy surfaces are discussed with implications for alkali laser spectroscopy.