Abstract

A hybrid model is used to calculate the dipole moments of care gas dimers and trimers. The exchange and polarization interactions are obtained with a single-configuration self-consistent-field (SCF) calculation and the dispersion contribution to the dipole is obtained by perturbation theory. The SCF dipoles for the trimers are found to compare well with values modeled by an exchange quadrupole-induced dipole mechanism. The dispersion dipole for the ArKr dimer is found to be significant compared to the exchange contribution even in the region of the equilibrium separation. Values of the B hyperpolarizability are evaluated for Ne, Ar, Kr, and Xe which allows the perturbation calculation of the dispersion dipole for any pair of rare gas atoms.

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