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arXiv:hep-lat/0105025 · Physical review. B, Condensed matter

Upper bound for the ground-state energy of fermion lattice models

Matteo Beccaria A

Published Jul 26, 2001• 6 citations
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Abstract

We present an improved upper bound for the ground-state energy of lattice fermion models with a sign problem. The bound can be computed by numerical simulation of a recently proposed family of deformed Hamiltonians with no sign problem. For one-dimensional models, we expect the bound to be particularly effective and practical extrapolation procedures are discussed. In particular, in a model of spinless interacting fermions and in the Hubbard model at various filling and Coulomb repulsion we show how such techniques can estimate the ground-state energies and correlation function with great accuracy.

DOI
10.1103/physrevb.64.073107

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Physical review. B./Physical review. B•Jul 26, 2018•7 citations
We present an improved upper bound for the ground-state energy of lattice fermion models with a sign problem. The bound can be computed by numerical simulation of a recently proposed family of deformed Hamiltonians with no sign problem. For one-dimensional models, we expect the bound to be particularly effective and practical extrapolation procedures are discussed. In particular, in a model of spinless interacting fermions and in the Hubbard model at various filling and Coulomb repulsion we show how such techniques can estimate the ground-state energies and correlation function with great accuracy.
We describe and discuss a recently proposed quantum Monte Carlo algorithm to compute the ground-state properties of various systems of interacting fermions. In this method, the ground state is projected from an initial wave function by a branching random walk in an overcomplete basis of Slater determinants. By constraining the determinants according to a trial wave function |${\mathrm{\ensuremath{\psi}}}_{\mathrm{T}}$〉, we remove the exponential decay of signal-to-noise ratio characteristic of the sign problem. The method is variational and is exact if |${\mathrm{\ensuremath{\psi}}}_{\mathrm{T}}$〉 is exact. We illustrate the method by describing in detail its implementation for the two-dimensional one-band Hubbard model. We show results for lattice sizes up to 16\ifmmode\times\else\texttimes\fi{}16 and for various electron fillings and interaction strengths. With simple single-determinant wave functions as |${\mathrm{\ensuremath{\psi}}}_{\mathrm{T}}$〉, the method yields accurate (often to within a few percent) estimates of the ground-state energy as well as correlation functions, such as those for electron pairing. We conclude by discussing possible extensions of the algorithm.
Gauge theories describe fundamental interactions in the standard model of particle physics and build effective theories in condensed matter physics. Being notoriously hard to simulate, these theories are commonly regularized as lattice gauge theories which can be evaluated with high precision through Monte Carlo algorithms or variational methods. However, Monte Carlo algorithms are not applicable in all regimes due to the sign problem; while variational methods, quantum and classical alike, only give upper-bounds on the ground-state energy. Their precision crucially depends on the chosen ansatz. Here, we present a framework based on a hierarchy of semidefinite programs to yield increasingly good lower-bounds on the ground-state energy and propagate these bounds to extended observables like Wilson loops and mesonic strings. We demonstrate the numerical capabilities by applying the algorithm to a (1+1)-dimensional Z2\mathbb{Z}_2Z2​ theory with dynamic fermionic matter and its pure-gauge version in (2+1)-dimensions. In both cases, we obtain certified intervals for the ground-state energy. For a one-dimensional system with 129 sites, the certified interval has a relative spread of 0.04%0.04\%0.04%. For a two-dimensional system with 97 sites (corresponding to a 7×87 \times 87×8 lattice), the relative spread is 2.08%2.08\%2.08%. Beyond energy estimates, the proposed method provides rigorous bounds on both short- and long-range observables such as Wilson loops over multiple plaquettes and the magnitude of the mesonic string. The method can be both used as a computational microscope into many-body physics and a way to certify results of quantum simulators.
We investigate the properties of the ground state of a system of interacting bosons on regular lattices with coordination number k≥2k\geq 2k≥2. The interaction is a pure, infinite, on-site repulsion. Our concern is to give an improved upper bound on the ground state energy per site. For a density ρρρ a trivial upper bound is known to be −kρ(1−ρ)-kρ(1-ρ)−kρ(1−ρ). We obtain a smaller variational bound within a reasonably large family of trial functions. The estimates make use of a large deviation principle for the energy of the Ising model on the same lattice.
The ground-state properties of the half-filled Hubbard model are investigated in the framework of lattice density functional theory. The single-particle density matrix ${\ensuremath{\gamma}}_{ij\ensuremath{\sigma}}$ is regarded as the central variable of the many-body problem, where iii and jjj refer to the lattice sites and $\ensuremath{\sigma}$ to the spin. The interaction-energy functional $W[{\ensuremath{\gamma}}_{ij\ensuremath{\sigma}}]$ is calculated exactly for representative finite periodic systems by performing exact Lanczos diagonalizations. The relationship between $W[{\ensuremath{\gamma}}_{ij\ensuremath{\sigma}}]$ and the entropy $S[{\ensuremath{\eta}}_{\mathbit{k}\ensuremath{\sigma}}]$ of independent fermions with natural-orbital occupations ${\ensuremath{\eta}}_{\mathbit{k}\ensuremath{\sigma}}$ is analyzed. A simple approximation to the interaction energy of the half-filled Hubbard model is proposed, which takes the form $W=W(S[{\ensuremath{\eta}}_{\mathbit{k}\ensuremath{\sigma}}])$. Using this functional we derive the ground-state energy, kinetic energy, average number of double occupations, charge distribution, magnetic susceptibility, and field-induced spin polarization in one-, two-, and three-dimensional periodic lattices. The limit of infinite dimensions is also explored. The accuracy of the method is assessed by comparison with available exact numerical or analytical results. Goals, limitations, and possible extensions of the domain of applicability of the functional are discussed.