Abstract

Hartree--Fock methods are used to calculate the interaction energy of Ar and H/sub 2/ in the region of the attractive (van der Waals) minimum. As expected this leads to poor agreement with experiment. When a semiempirical correction term representing the induced dipole--induced dipole dispersion energy is added to the Hartree--Fock potential, the resulting potential agrees quite well with experimental results. This scheme is then used for investigation of two similar systems: Ne--H/sub 2/ and Na/sup +/--H/sub 2/. The procedure is found to describe qualitatively quite well the potentials of the two systems.

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