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Journal of Physics Condensed Matter

A new auxiliary particle method for the Hubbard, t-J and Heisenberg models

D. Vâcaru, S. E. Barnes

Published Jan 17, 1994• 2 citations
Publisher

Abstract

A new bond auxiliary particle method for the Hubbard, t-J and Heisenberg Hamiltonians is presented. First, the one-dimensional (1D) Heisenberg Hamiltonian is studied as a test case. The exact ground state is approached rapidly via perturbation theory. At the level of second-order perturbation theory, the ground state energy is accurate within a few per cent, while in the 15th order it is accurate to five figures. Without any renormalization, the spin velocity is given with 10% accuracy, and the spectrum is correctly gapless. The degeneracy is also correct, giving a Wilson ratio R=2. The method is used to calculate analytically the full Green's function for a single hole in a half-filled (one electron per site) t-J model.

DOI
10.1088/0953-8984/6/3/012

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A new bond auxiliary particle method for the Hubbard, t-J and Heisenberg Hamiltonians is presented. First, the one-dimensional (1D) Heisenberg Hamiltonian is studied as a test case. The exact ground state is approached rapidly via perturbation theory. At the level of second-order perturbation theory, the ground state energy is accurate within a few per cent, while in the 15th order it is accurate to five figures. Without any renormalization, the spin velocity is given with 10% accuracy, and the spectrum is correctly gapless. The degeneracy is also correct, giving a Wilson ratio R=2. The method is used to calculate analytically the full Green's function for a single hole in a half-filled (one electron per site) t-J model.
Abstract We use the cumulant Green’s functions method (CGFM) to study the single-band Hubbard model. The starting point of the method is to diagonalize a cluster (‘seed’) containing N correlated sites and employ the cumulants calculated from the cluster solution to obtain the full Green’s functions for the lattice. All calculations are done directly; no variational or self-consistent process is needed. We benchmark the one-dimensional results for the gap, the double occupancy, and the ground-state energy as functions of the electronic correlation at half-filling and the occupation numbers as functions of the chemical potential obtained from the CGFM against the corresponding results of the thermodynamic Bethe ansatz and the quantum transfer matrix methods. The particle-hole symmetry of the density of states is fulfilled, and the gap, occupation numbers, and ground-state energy tend systematically to the known results as the cluster size increases. We include a straightforward application of the CGFM to simulate the singles occupation of an optical lattice experiment with lithium-6 atoms in an eight-site Fermi-Hubbard chain near half-filling. The method can be applied to any parameter space for one, two, or three-dimensional Hubbard Hamiltonians and extended to other strongly correlated models, like the Anderson Hamiltonian, the t − J, Kondo, and Coqblin-Schrieffer models.
Exact results for the one-hole excitation spectra of the one-dimensional half-filled Hubbard Hamiltonian are presented. We consider short chains of N=2, 4, 6 atoms and introduce modified periodic boundary conditions which allow us to make a comparison between different N and to extrapolate the results up to infinite chains. By the increasing weight of the scattering states in the one-hole spectrum, we demonstrate a gradual disappearance of the free-electron (band) picture with increasing local electron-electron interaction U. The exact spectra of the N=6 chain verify the results of second-order perturbation theory for U/W1, where W is the bandwidth. The extrapolation to the infinite system, made with the finite-cell-scaling method, gives the gap which agrees rather well with the exact result for U/W>0.2. The average energies and weights of the band and scattering states obtained with this method for an infinite chain do not differ significantly from those of the N=6 chain.
The widespread use of the noninteracting ground state as the initial state for the digital quantum simulation of the Fermi-Hubbard model is largely due to the scarcity of alternative easy-to-prepare approximations to the exact ground state in the literature. Exploiting the fact that the spin-12\frac{1}{2}21​ Heisenberg model is the effective low-energy theory of the Fermi-Hubbard model at half-filling in the strongly interacting limit, here we propose a three-step deterministic quantum routine to prepare an educated guess of the ground state of the Fermi-Hubbard model through a shallow circuit suitable for near-term quantum hardware. First, the ground state of the Heisenberg model is initialized via a hybrid variational method using an ansatz that explores only the correct symmetry subspace. Second, a general method is devised to convert a multi-spin-12\frac{1}{2}21​ wave function into its fermionic version. Third, taking inspiration from the Baeriswyl ansatz, a constant-depth single-parameter layer that adds doublon-holon pairs is applied to this fermionic state. Numerical simulations on chains and ladders with up to 12 sites confirm the improvement over the noninteracting ground state of the overlap with the exact ground state for the intermediate values of the interaction strength at which quantum simulation is found to be most relevant. More broadly, the general scheme to convert a multi-spin-12\frac{1}{2}21​ state into a half-filled fermionic state may bridge the gap between quantum spin models and lattice models of correlated fermions in the realm of digital quantum simulation.
In this work we solve a general Hubbard Hamiltonian for two interacting particles in a periodic and nonperiodic infinite one-dimensional lattice, using a real-space mapping method, the renormalized perturbation expansion (RPE), and the Green-function technique. This Hamiltonian considers a general bond-charge interaction, the on-site interaction, and the general intersite interaction. The real-space method is based on mapping the correlated many-body problem onto an equivalent site- and bond-impurity tight-binding problem in a higher-dimensional space. Analyzing the periodic and the quasiperiodic lattices in this new space, we obtained the analytical solution for the binding condition at the ground state. Our general results for the periodic chain reproduce completely the limit cases of the numerical solution obtained previously and those obtained in reciprocal space
The Hubbard model is investigated in the framework of lattice density functional theory (LDFT). The single-particle density matrix ${\ensuremath{\gamma}}_{\mathrm{ij}}$ with respect to the lattice sites is considered as the basic variable of the many-body problem. A new approximation to the interaction-energy functional $W[\ensuremath{\gamma}]$ 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 ${\ensuremath{\gamma}}_{\mathrm{ij}},$ 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.
We investigate the ground state (T = 0 K) of the one-dimensional symmetrical (n = 1) Hubbard model formalized in terms of the system of integral equations, which we previously obtained using the method of the generating functional of Green’s functions with the subsequent Legendre transformation. In a wide range of variations in the parameter of Coulomb interaction U, the following characteristics of the system have been calculated: the electron density of states, the electron band spectrum, the number of doubly occupied lattice sites, the localized magnetic moment, the correlator of the square of the longitudinal component of spin at a site,<S Z 2>, and the internal energy of the system. It has been shown that, for all U > 0, the model yields two solutions, i.e., an antiferromagnetic insulator and a paramagnetic insulator, in which there are no single-electron quasi-particles at the Fermi level. The energy of the paramagnetic solution in the region of U < 1.1 is considerably less than that of the antiferromagnetic solution for the case of U > 1.1, we have the opposite situation.