Alkaline Earth Dimers

We perform accurate ab-initio calculations to compute the Potential Energy Surface (PES) of both neutral and ionic alkaline earth dimers. We are trying to carefully analyze the long range behavior of the ionic samples, by doing a Full Configuration Interaction (FCI) calculation with an effective-core potential. Several corrections including the effects of counterpoise have been taken into account to make the description as accurate as possible. We have been successfully able to explain the long range barriers and wells in the PES of ground state ionic dimers. Not only are these curves important to Quantum Chemistry but would also serve as nice hunting grounds for scattering problems.