Abstract
A nonrelativistic R-matrix theory for many-electron systems is formulated in the language of integral operators. A relationship between the operator and matrix formulations is provided. Six variational principles related to the subject are presented. The Rayleigh-Ritz linear trial functions are used in these principles, yielding second-order variational estimates of eigenvalues, elements, and reciprocals of elements of the R matrix and its inverse. Following the ideas of Hinze and Hamacher [J. Chem. Phys. 92, 4372 (1990)], a multiconfiguration Hartree-Fock approach to the R-matrix method is proposed.
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