We propose an analytical method for the construction of Hartree-Fock phase diagrams for the (fermion) Hubbard model and various generalizations thereof. Such phase diagrams are traditionally constructed numerically, but we argue that, by using asymptotic techniques, it is possible to obtain analytic formulas approximating the curves separating the different phases to very high accuracy. To illustrate the new method, we apply it to the two-dimensional Hubbard model on the square lattice at zero temperature. This yields formulas for the Hartree-Fock phase boundaries that agree with, but also improve on, earlier numerical results. In particular, our results provide the first rigorous proof of the existence of mixed phases in this model.
We propose an analytical method for the construction of Hartree-Fock phase diagrams for the (fermion) Hubbard model and various generalizations thereof. Such phase diagrams are traditionally constructed numerically, but we argue that, by using asymptotic techniques, it is possible to obtain analytic formulas approximating the curves separating the different phases to very high accuracy. To illustrate the new method, we apply it to the two-dimensional Hubbard model on the square lattice at zero temperature. This yields formulas for the Hartree-Fock phase boundaries that agree with, but also improve on, earlier numerical results. In particular, our results provide the first rigorous proof of the existence of mixed phases in this model.
In this paper, we study phase separation in the two-dimensional single-band Hubbard model with the unrestricted Hartree-Fock(UHF) method and the restricted Hartree-Fock (RHF) method. We perform the calculation for square lattices and rectangle lattices. It is observed that the stripe phase exists and it depends on three aspects: geometry of the lattice, Coulomb interaction U and band filling n. To gain more physical insights, we consider the Hubbard model with spin dependent hoppings: t↑ and t↓, and study the effect of varying [Formula: see text] on the phase separation.
The students interested in the study of strongly correlated electron systems normally feel, in the beginning of their studies, a great difficulty in understanding the complex correlations of these systems. We consider that for these students it is very important to have texts that analyze pedagogically the theoretical research methods of the subject. We show how to determine the thermodynamic properties of the Hubbard model for the two-dimensional square lattice, utilizing the Hartree-Fock approximation. All the procedures and peculiarities which lead to the determination of the thermodynamic properties and to the comprehension of the meaning of the Hartree-Fock approximation applied to models of strongly correlated electron systems are pedagogically presented in detail. We obtain the magnetization, the magnetic susceptibility, the internal energy, the specific heat, and also a magnetic phase diagram of the studied system. Our approach clearly shows that the use of the Hartree-Fock approximation, in this case, is very simple.
We present numerical methods to solve the generalized Hartree–Fock theory for fermionic systems in lattices, both in thermal equilibrium and out of equilibrium. Specifically, we show how one can determine the covariance matrix corresponding to the fermionic Gaussian state that optimally approximates the quantum state of fermions. The methods apply to relatively large systems, because their complexity only scales quadratically with the number of lattice sites. Moreover, they are specially suited to describe inhomogeneous systems, as those typically found in recent experiments with atoms in optical lattices, at least in the weak interaction regime. As a benchmark, we have applied them to the two-dimensional Hubbard model on a 10 × 10 lattice with and without external confinement.
Abstract This study extended the fixed-node QMC method to a lattice model for hopping fermions using Green’s function techniques. In general, the modifications of the procedures for continuous systems to adapt them to a lattice system were minor, and there appeared to be no surprises. Applications were made to the two-dimensional Hubbard model with different on-site interactions, lattice dimensions, boundary conditions, node specifications, and trial wavefunctions for importance sampling. Results were compared with those of Hartree-Fock and variational QMC calculations. For the HF calculations with zero interaction, the exact solutions are known, and the Green’s function QMC results agreed with those within statistical error. Trial wavefunctions specifying the nodes were obtained directly as those of HF determinantal solutions for zero interaction, or as variationally optimized determinantal functions with correlation terms. The procedure for fixed nodes was to eliminate walkers crossing the boundaries of a nodal region, a procedure not quite correct, but probably a reasonable approximation. The results in all cases were consistent with the HF and variational QMC calculations, giving lower energies than either for nonzero interaction energies. The existence of a domain-wall phase suggested by the HF and variational QMC results was confirmed by the fixed-node Green’s function results. It was noted that the fixed-node method would be applicable to systems other than the Hubbard model.
Numerical results for ground-state and excited-state properties (energies, double occupancies, and Matsubara-axis self-energies) of the single-orbital Hubbard model on a two-dimensional square lattice are presented, in order to provide an assessment of our ability to compute accurate results in the thermodynamic limit. Many methods are employed, including auxiliary-field quantum Monte Carlo, bare and bold-line diagrammatic Monte Carlo, method of dual fermions, density matrix embedding theory, density matrix renormalization group, dynamical cluster approximation, diffusion Monte Carlo within a fixed-node approximation, unrestricted coupled cluster theory, and multireference projected Hartree-Fock methods. Comparison of results obtained by different methods allows for the identification of uncertainties and systematic errors. The importance of extrapolation to converged thermodynamic-limit values is emphasized. Cases where agreement between different methods is obtained establish benchmark results that may be useful in the validation of new approaches and the improvement of existing methods.
Numerical results for ground-state and excited-state properties (energies, double occupancies, and Matsubara-axis self-energies) of the single-orbital Hubbard model on a two-dimensional square lattice are presented, in order to provide an assessment of our ability to compute accurate results in the thermodynamic limit. Many methods are employed, including auxiliary-field quantum Monte Carlo, bare and bold-line diagrammatic Monte Carlo, method of dual fermions, density matrix embedding theory, density matrix renormalization group, dynamical cluster approximation, diffusion Monte Carlo within a fixed-node approximation, unrestricted coupled cluster theory, and multireference projected Hartree-Fock methods. Comparison of results obtained by different methods allows for the identification of uncertainties and systematic errors. The importance of extrapolation to converged thermodynamic-limit values is emphasized. Cases where agreement between different methods is obtained establish benchmark results that may be useful in the validation of new approaches and the improvement of existing methods.