Abstract

In view of further applications to molecular crystal theory, spheroidal expansion of intermolecular potential involving. anisotropic molecules is investigated, including multipole moments up to octupole. The spheroidal formalism is worked out for the electrostatic potential outside a non-spherica charge distribution as well as for interactions between two anisotropic molecules in the non-overlap assumption. The case where either molecule is axia symmetric is presented as a reduced form of the general formulas displayed.

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