Self-Consistent-Field Theory. III. General Treatment for Excited States

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Abstract
The general coupling operator defined in the first paper of this series is used, in conjunction with the modified variation method due to Weinstein and MacDonald, to formulate a general self‐consistent‐field scheme. In principle this permits the determination of the eigenfunctions and eigenvalues of any state of an electronic system with no restrictions on orbital occupancy, symmetry, or multiplicity. A tentative generalization of the concept of a Hartree—Fock function is given and the meaning of correlation energy, in the context of the modified variation method, is discussed.

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