Abstract
Usually, many-electron wave-functions for molecules are constructed from antisymmetrized products of one-electron orbitals. Configuration interaction and energy level calculations are based on variational principles, and matrix elements are obtained using Slater's rules. In this paper this method is generalized, the orbitals being replaced by group functions, each one describing any number of electrons. It is assumed that wave-functions satisfy separability conditions between groups similar to those already given by Lykos and Parr, and Parks and Parr. This work should be considered as an extension of theirs. Corrections to orbital energies and operators for the interaction between electrons belonging to different groups are given, the expressions are simplified using Mulliken's approximations. The method here developed is compared with McWeeny's density matrix formalism, and similarities and differences pointed out. Possibilities of application in actual molecules are compared with those of other methods.
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