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• W2084837229 abstract "Despite being size-extensive, the “second-generation” 1-matrix functionals for the electron–electron repulsion energy Vee yield vanishing correlation energy for the homogeneous electron gas. This failure is directly related to the idempotency condition imposed upon an auxiliary matrix that enters the expression for Vee. In particular, the recently proposed Kollmar–Hess functional is not volume-extensive and thus is incapable of properly describing any delocalized system at its thermodynamic limit." @default.
• W2084837229 created "2016-06-24" @default.
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• W2084837229 date "2004-05-18" @default.
• W2084837229 modified "2023-09-24" @default.
• W2084837229 title "Size versus volume extensivity of a new class of density matrix functionals" @default.
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• W2084837229 doi "https://doi.org/10.1063/1.1738411" @default.
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