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Comparison of coupledhyphen;cluster results with a hybrid of Hartreendash;Fock and density functional theory

机译:Comparison of coupledhyphen;cluster results with a hybrid of Hartreendash;Fock and density functional theory

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The performance of a hybrid of Hartreendash;Fock and density functional theory is tested on a set of lsquo;lsquo;pathologicalrsquo;rsquo; quantum chemistry problems. The predictions of this hybrid model are in qualitative agreement with coupledhyphen;cluster results and with experiment. Given the modest computational cost of the procedure, this is an extremely encouraging development.

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