INTRAMOLECULAR BOND LENGTH DEPENDENCE OF THE ANISOTROPIC DISPERSION COEFFICIENTS FOR H-2 RARE-GAS INTERACTIONS

Effective states arising from variational perturbation calculations in a full configuration interaction basis are used to calculate dynamic multipole polarizabilities for H-2 at seven different bond lengths. Th ese are combined with previously calculated dynamic polarizabilities f or rare gas atoms to obtain the intramolecular bond length dependence of the anisotropic C6, C-8, and C-10 dispersion coefficients for H-2-X (X=He, Ne, Ar, Kr, Xe) interactions. The results are generally in goo d agreement with previous semiempirical estimates where available.