PSEUDOPOTENTIAL SCF CI CALCULATION FOR THE POTENTIAL-ENERGY CURVES OF THE CAHE PAIR

Potential energy curves for the CaHe system are recalculated using a modified version of the pseudopotential method. Unlike our previous calculations, the CaHe diatomic is now handled as a four-electron system. In the CI calculation, only the valence electrons of Ca are active, whereas the electrons of helium are kept frozen in the ground-state configuration. The calcium core is represented by the semi-empirical l-dependent pseudopotential. Correlation effects due to the rare-ps atom and the Ca-core are accounted for by incorporating the polarization potential into the interaction Hamiltonian. Experimental data on the CaHe collision complex can be fairly well understood in terms of the calculated potentials.