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- W1607710570 abstract "A variational formulation for the calculation of interacting fermion systems based on the density-matrix functional theory is presented. Our formalism provides for a natural integration of explicit many-particle effects into standard density-functional-theory-based calculations and it avoids the ambiguities of double-counting terms inherent in other approaches. Like the dynamical mean-field theory, we employ a local approximation for explicit correlations. Aiming at the ground state only, we trade some of the complexity of Green's-function-based many-particle methods against efficiency. Using short Hubbard chains as test systems, we demonstrate that the method captures ground-state properties, such as left-right correlation, beyond those accessible by mean-field theories." @default.
- W1607710570 created "2016-06-24" @default.
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- W1607710570 date "2011-11-02" @default.
- W1607710570 modified "2023-09-23" @default.
- W1607710570 title "Method to include explicit correlations into density-functional calculations based on density-matrix functional theory" @default.
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- W1607710570 doi "https://doi.org/10.1103/physrevb.84.205101" @default.
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