A modified coupled pair functional (MCPF) method is presented that dramatically improves properties for cases where the Hartree–Fock reference configuration is not a good zeroth-order description of the wave function. This new methodology is compared to singles-plus-doubles configuration interaction and the CPF method of Ahlrichs et al. for the ground states of NiH, CuH, and ZnH.
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Chong et al. (1986) studied this question.
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