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Theoretical modeling demonstrates a convergent multipole expansion for molecular interactions across all separations, suggesting simplified calculation of complex intermolecular forces.
The energy of interaction between two arbitrary molecules is expanded into generalized spherical multipoles following early work by Koide for atoms. The expansion converges for all intermolecular separations R and allows for separation of angular from R-dependent factors. The expanded energies are expressed in terms of generalized moments and polarizabilities of the individual molecules. Exchange effects are not included.
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Magnasco et al. (1989) studied this question.
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