A CEPA2 investigation of the He-He and He-Li+ potential functions

An ab initio investigation of the He-He and He-Li+ ground state potential functions has been carried out using the CEPA2 formalism. A large gaussian basis set, optimised for the He-He interaction, was used to calculate the potentials from R=1.0 a0 to 15.0 a0. Two electron integrals generated in the He-He calculation were used in the computation of the He-Li+ interaction. For He-He the well depth was found to be 9.55 K at R=5.67 a0. The He-Li+ well depth was determined to be 2.955 mEsub(h) at R=3.58 a0. (author)