Theoretical electronic structure including spin–orbit effects of the alkali dimer cation

A theoretical study of the electronic structure of has been performed, including or not spin–orbit coupling. Potential energy curves for all the molecular states dissociating up to the limit Cs⁺ + Cs (8s ²S_1/2), i.e 26 states in the representation and 38 states in the representation Ω_g,u, are displayed. Equilibrium distances, transition energies and depths for the wells predicted at short and large range of internuclear separation R are reported. The existence of some of the long-range wells are confirmed by a long range model. Extensive tables of energy values versus internuclear distances are available at the following address: http://lasim.univ-lyon1.fr/allouche/cs2plus.htm.