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Spherical tensor theory of long‐range interactions between two molecules
Author(s) -
Piecuch Piotr
Publication year - 1984
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560250302
Subject(s) - multipole expansion , formalism (music) , perturbation (astronomy) , molecule , physics , anisotropy , quantum , interaction energy , quantum mechanics , tensor (intrinsic definition) , perturbation theory (quantum mechanics) , classical mechanics , mathematics , geometry , art , musical , visual arts
The Rayleigh–Schrödinger perturbation treatment can be applied in the quantum mechanical study of long‐range interactions between molecules, when we can assume that the molecular charge distributions do not overlap. In these cases the multipole expansion is a good approximation of real interaction potential and can be treated as a perturbation. In this paper we obtain closed expressions for the anisotropic long‐range interaction energy between two molecules in all orders of the perturbation, using spherical tensor formalism. Then we show how spherical multipoles and polarizabilities of the isolated molecules can be inserted into general formulas for interaction energy.