Related papers: Improved Mean-Field Scheme for the Hubbard Model
The one-dimensional Hubbard model at half-filling is studied in the framework of the Composite Operator Method using a static approximation. A solution characterized by strong antiferromagnetic correlations and a gap for any nonzero on-site…
The last decade has seen a large increase in the number of electronic-structure calculations that involve adding a Hubbard term to the local density approximation band-structure Hamiltonian. The Hubbard term is then solved either at the…
We generalize the linear discrete dimensional scaling approach for the repulsive Hubbard model to obtain a nonlinear scaling relation that yields accurate approximations to the ground-state energy in both two and three dimensions, as judged…
We present a new parallel algorithm for the exact diagonalization of the $t-t'$-Hubbard model with the Lanczos-method. By invoking a new scheme of labeling the states we were able to obtain a speedup of up to four on 16 nodes of an IBM SP2…
Simple analytical parametrizations for the ground-state energy of the one-dimensional repulsive Hubbard model are developed. The charge-dependence of the energy is parametrized using exact results extracted from the Bethe-Ansatz. The…
Using extended dynamical mean-field theory and its combination with the $GW$ approximation, we compute the phase diagrams and local spectral functions of the single-band extended Hubbard model on the square and simple cubic lattices,…
The dimerized one-dimensional Hubbard model is studied in the framework of lattice density-functional theory (LDFT). The single-particle density matrix gamma_{ij} with respect to the lattice sites is considered as basic variable. The…
An exact analytical diagonalization is used to solve the two dimensional Extended Hubbard Model for system with finite size. We have considered an Extended Hubbard Model (EHM) including on-site and off-site interactions with interaction…
For the calculation of charge excitations as those observed in, e.g., photo-emission spectroscopy or in electron-energy loss spectroscopy, a correct description of ground-state charge properties is essential. In strongly correlated systems…
We employ a high-order perturbative expansion to characterize the ground state of the Mott phase of the one-dimensional Bose-Hubbard model. We compute for different integer filling factors the energy per lattice site, the two-point and…
In electronic structure methods based on the correction of approximate density-functional theory (DFT) for systematic inaccuracies, Hubbard $U$ parameters may be used to quantify and amend the self-interaction errors ascribed to selected…
The ground-state energy of the Hubbard model on a Bethe lattice with infinite connectivity at half filling is calculated for the insulating phase. Using Kohn's transformation to derive an effective Hamiltonian for the strong-coupling limit,…
The spectral functions of the one-band half-filled 1D Hubbard chain are calculated using the exchange-correlation potential formalism developed recently. The exchange-correlation potential is adopted from the exact potential derived from…
Equal time spin--spin and pair field correlation functions are calculated for a two-chain Hubbard model using a density-matrix numerical renormalization group approach. At half-filling, the antiferromagnetic and pair field correlations both…
The degeneracy of two-phase disordered microstructures consistent with a specified correlation function is analyzed by mapping it to a ground-state degeneracy. We determine for the first time the associated density of states via a Monte…
The effective independent-particle (mean-field) approximation of the Hubbard Hamiltonian is described in a many-body basis to develop a formal comparison with the exact diagonalization of the full Hubbard model, using small atomic chain as…
We study the two-dimensional Hubbard model in the weak-coupling regime and compare the self-energy obtained from various approximate diagrammatic schemes to the result of diagrammatic Monte Carlo simulations, which sum up all weak-coupling…
Parametrizing energy functions for ionic systems can be challenging. Here, the total energy function for an eutectic system consisting of water, SCN$^-$, K$^+$ and acetamide is improved vis-a-vis experimentally measured properties. Given…
A density functional theory for many-body lattice models is considered in which the single-particle density matrix is the basic variable. Eigenvalue equations are derived for solving Levy's constrained search of the interaction energy…
According to energy band theory, ground states of a normal conductor and insulator can be obtained by filling electrons individually into energy levels, without any restrictions. It fails when the electron-electron correlation is taken into…