Ground and excited states of Rb₂⁺and Cs₂⁺by means of quasi-relativistic pseudo-potentials including core polarisation

Pseudo-potentials for Rb and Cs have been generated that represent the effects of core-valence correlation by a polarisation potential and that reproduce spin-orbit splittings in the atoms to within 10 -7 au(<or approximately=1%). These potentials were used to calculate the potential curves of the X 2 Sigma g1/2 , 1 2 Sigma u1/2 , and 1 2 Pi u3/2 states of Rb 2 + and Cs 2 + . In the latter case, experimental data exist for the spin-orbit splitting of the Pi u states. The calculated and the measured values agree excellently.