SCF theory for multiple perturbations

J.L. Dodds Department of Chemistry, University of Sheffield

R. McWeeny Department of Chemistry, University of Sheffield

W.T. Raynes Department of Chemistry, University of Sheffield

J.P. Riley Department of Chemistry, University of Sheffield

Abstract

A fully coupled SCF perturbation theory is developed in matrix form for any number of simultaneous perturbations. Explicit expressions are given for all energy terms up to fourth order in the perturbation parameters. In succeeding papers these expressions are used to produce expressions for and values of several molecular properties dependent upon the simultaneous application of electric and magnetic fields.

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SCF theory for multiple perturbations

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