"Lattice density functional theory : Numerical correlation-energy functional for the generalized Hubbard model"

We present an accurate method to determine ground-state properties of strongly-correlated electrons decribed by lattice-model Hamiltonians. In lattice density-functional theory (LDFT) the basic variable is the one-particle density matrix $\gamma$. From the HK theorem, the ground state Energy $E_{gs}[\gamma_{gs}] = \min_{\gamma} E[\gamma]$ is obtained by minimizing the energy over all the representable $\gamma$. The energy functional can be divided into two contributions: the kinetic-energy functional, which linear dependence on $\gamma$ is axactly known, and the correlation-energy functional $W[\gamma]$, which approximation constitutes the actual challenge. Within the framework of LDFT, we develope a numerical approach to $W[\gamma]$, which involves the exact diagonalisation of an effective many-body Hamiltonian of a cluster surrounded by an effective field. This effective Hamiltonian depends on the density matrix $\gamma$. In this talk we discuss the formulation of the method and its application to the Hubbard and single-impurity Anderson models in one and two dimensions. The accuracy of the method is deponstrated by comparison with the Bethe-Ansatz solution (1D), density-matrix renormalization group calculations (1D), and quantum Monte Carlo simulations (2D).