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The charge decomposition analysis (CDA) has been devised to analyze chemical systems which can be described as donor-acceptor complexes. The electronic and energetic charges associated with the formation of a complex consisting of two fragments A and B are partitioned in terms of the familiar Dewar-Chatt-Duncanson model. The energy analysis is feasible within the Hartree-Fock approximation, while the charge decomposition analysis can also be carried out at correlated levels.

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