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- W2061693229 abstract "The Hubbard model is investigated in the framework of lattice density functional theory (LDFT). The single-particle density matrix $gamma_{ij}$ with respect the lattice sites is considered as the basic variable of the many-body problem. A new approximation to the interaction-energy functional $W[gamma]$ is proposed which is based on its scaling properties and which recovers exactly the limit of strong electron correlations at half-band filling. In this way, a more accurate description of $W$ is obtained throughout the domain of representability of $gamma_{ij}$, including the crossover from weak to strong correlations. As examples of applications results are given for the ground-state energy, charge-excitation gap, and charge susceptibility of the Hubbard model in one-, two-, and three-dimensional lattices. The performance of the method is demonstrated by comparison with available exact solutions, with numerical calculations, and with LDFT using a simpler dimer ansatz for $W$. Goals and limitations of the different approximations are discussed." @default.
- W2061693229 created "2016-06-24" @default.
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- W2061693229 date "2004-02-13" @default.
- W2061693229 modified "2023-09-26" @default.
- W2061693229 title "Interaction-energy functional for lattice density functional theory: Applications to one-, two-, and three-dimensional Hubbard models" @default.
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- W2061693229 doi "https://doi.org/10.1103/physrevb.69.085101" @default.
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