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Theoretical derivation reveals matrix-form equations for fourth-order perturbation energy in molecular systems, enabling accurate calculation of combined electric and magnetic properties.
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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Dodds et al. (1977) studied this question.
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