INTERATOMIC POTENTIALS FOR HENE HEAR AND NEAR

Semiempirical potentials for HeNe, HeAr, and NeAr are determined according to Nesbet's scheme from Hartree-Fock (H-F) repulsions and the experimental Boyle temperature in terms of the (exp-6) and Morse models. For the Morse model, the agreement with potentials determined entirely from experimental data is within about 10%; it is poorer for the (exp-6) model. However, both models afford poor agreement with the theoretical -C6r-6 dispersion attraction. Hybrid model potentials, constructed by equating the H-F repulsion with the repulsive term of the model potential and requiring a first-order contact with the theoretical dispersion, have much too shallow a well. Possible means for obtaining improved hybrids are explored.