Spherical tensor theory of long-range interactions in a system of N arbitrary molecules including quantum-mechanical many-body effects

Author： Piecuch Piotr

Publisher： Taylor & Francis Ltd

ISSN： 1362-3028

Source： Molecular Physics, Vol.59, Iss.5, 1986-12, pp. : 1067-1083

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Abstract

The Rayleigh-Schrödinger perturbation treatment accompanied by a multipole expansion of the interaction energy operator can be used in quantum-mechanical studies of long-range intermolecular forces. In the present series of papers we extend the application of the spherical tensor formalism to the two-body long-range molecular interactions for the induction and dispersion pairwise non-additive forces. In this paper we demonstrate the closed expressions for all categories of the anisotropic induction interaction energy in a system of N molecules appearing in the first three orders of perturbation theory, in which the orientational dependence is pushed to its limits.