Higher order multipole three-body van der Waals interactions and stability of rare gas solids

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Abstract
Long range van der Waals interactions to higher orders of both multipole and perturbation expansions are examined. In particular the dipole- dipole-dipole, dipole-dipole-quadrupole, dipole-quadrupole-quadrupole, quadrupole-quadrupole-quadrupole and dipole-dipole-octupole three body terms to third order perturbation, and the dipole-dipole-dipole- dipole term to fourth order perturbations are considered. Apart from the dipole-dipole-octupole term the contributions of these factors to the lattice energy of crystalline Ne, A, Kr and Xe are evaluated. The relative stability of the FCC and HCP structures is examined but does not appear to be firmly established by these terms. However, the results indicate that if the octupole polarizabilities of the rare gas atoms prove to be large then there would be a distinct preference for the FCC structure with respect to the dipole-dipole-octupole contribution.

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