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physica status solidi (b)

On Functional Fourier Transformation for the Hubbard Model and Similar Models

Ulrich Behn, Wolfgang Weller

Published May 1, 1980• 11 citations
Publisher

Abstract

Abstract Describing spin ↑ ‐electrons the particle number operators ni↓ are replaced under the functional integral directly by c‐numbers vi↓(t) using a δ‐functional instead of the Hubbard‐Stratonovich transformation. The Green function of the Hubbard model is thus exactly represented as an averaged Green function of electrons moving in a stochastic potential Uvi↓(t). The probability distribution for the stochastic process v ↓ containing the many body aspect and the information about the ↓‐electrons is determined. The vi↓(t) are only allowed to jump between 0 and 1 reflecting the property of Fermion particle number operators. This exact scheme can be interpreted as a dynamically generalized alloy analogy.

DOI
10.1002/pssb.2220990105

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Abstract Describing spin ↑ ‐electrons the particle number operators ni↓ are replaced under the functional integral directly by c‐numbers vi↓(t) using a δ‐functional instead of the Hubbard‐Stratonovich transformation. The Green function of the Hubbard model is thus exactly represented as an averaged Green function of electrons moving in a stochastic potential Uvi↓(t). The probability distribution for the stochastic process v ↓ containing the many body aspect and the information about the ↓‐electrons is determined. The vi↓(t) are only allowed to jump between 0 and 1 reflecting the property of Fermion particle number operators. This exact scheme can be interpreted as a dynamically generalized alloy analogy.
Abstract In a previous paper the Green function for the Hubbard model is represented by a functional average of the Green function for an electron moving in a local time dependent potential Uvi(t) taking only the values 0 and U. Here this functional average is calculated with an ad hoc assumed Poisson distribution governing the jumps of Uvi(t). In a single‐site approximation the Poisson average can be calculated exactly and leads to a self‐consistent ‚dynamic’︁ scheme interpolating between band and atomic limit. For a half‐filled band in the paramagnetic case at zero temperature for strong Coulomb repulsion U ≈ 2 two subbands are obtained separated by a minimum of the density of states.
A new method for the simulation of ground-state properties of interacting fermions is introduced. A trial wave function, which is assumed to be a Slater determinant, is propagated to large imaginary times. The quantum many-body propagator is represented by a coherent superposition of single-particle propagators by means of a Hubbard-Stratonovich transformation. The resulting functional integral is performed by stochastic methods based on Langevin dynamics. Numerical stability is achieved by orthonormalizing the propagating single-particle orbitals entering the Slater determinant. The problem of the positiveness of the statistical weight is addressed and solved in most cases. Illustrative examples are given for the 1D and 2D Hubbard models.
Functional integral methods provide a way to define mean–field theories and to systematically improve them. For the Hubbard model and similar strong–correlation problems, methods based in particular on the Hubbard–Stratonovich transformation have however been plagued by difficulties to formulate the problem in a spin–rotation invariant way. Here a formalism circumventing this problem by using a space – and time–dependent spin reference axis is discussed. This formulation is then used to suggest a possible alternative to Nagaoka ferromagnetism in the strongly correlated Hubbard model in the vicinity of half–filling. Finally, some aspects of single–particle spectra in a simplified model for a short–range ordered antiferromagnet are discussed. PACS numbers: 71.28.+d, 75.10.Lp, 75.30.Kz 1.
The application of functional integral methods and the Hubbard--Stratonovich transformation to the Hubbard model is discussed. For the attractive case, using a simple gauge transformation of the superconducting order parameter field, the effective action for the low-energy phase excitations is derived. Inclusion of the electromagnetic field is straightforward. For the repulsive case at half--filling use of a fluctuating spin reference frame allows a derivation of the effective nonlinear sigma model for arbitrary coupling strength U. Results for the spin-wave velocity and the spin stiffness are obtained for arbitrary U. Away from half--filling, at large U an effective action for doped fermions and the spins is found which is related to the slave fermion formulation of the correlated fermion problem. The formalism is generalized to include the full SU(2)xSU(2) symmetry of the Hubbard model. This allows the derivation of a Ginzburg-Landau like theory that includes both particle-hole and particle-particle excitations. (paper at the NATO workshop on the Hubbard model, San Sebastian, Spain, oct. 1993)
Abstract We apply the methodology of our recent paper ‘The Dynamics of the Hubbard Model through Stochastic Calculus and Girsanov Transformation’ [1] to thermodynamic correlation functions in the Fermi-Hubbard model. They can be obtained from a stochastic differential equation (SDE) system. To this SDE system, a Girsanov transformation can be applied. This has the effect that the usual determinant or pfaffian which shows up in a pfaffian quantum Monte Carlo (PfQMC) representation [2] basically gets absorbed into the new integration variables and information from that pfaffian moves into the drift part of the transformed SDE system. While the PfQMC representation depends heavily on the choice of how the quartic interaction has been factorized into quadratic quantities in the beginning, the Girsanov transformed formula has the very remarkable property that it is nearly independent of that choice, the drift part of the transformed SDE system as well as a remaining exponential which has the obvious meaning of energy are always the same and do not depend on the Hubbard-Stratonovich details. The resulting formula may serve as a starting point for further theoretical or numerical investigations. Here we consider the spin-spin correlation at half-filling on a bipartite lattice and obtain an analytical proof that the signs of these correlations have to be of antiferromagnetic type, at arbitrary temperatures. Also, by checking against available benchmark data [3], we find that approximate ground state energies can be obtained from an ODE system. This may even hold for exact ground state energies, but future work would be required to prove or disprove this. As in [1], the methodology is generic and can be applied to arbitrary quantum many body or quantum field theoretical models.
Following a proposal by Aronov and Ioselevich, we express the Green functions (GF) of a noninteracting disordered Fermi system as a functional integral on a real time/frequency lattice. The normalizing denominator of this functional integral is equal to unity, because of identities satisfied by the GF. The GF can then be simply averaged with respect to the random disorder potential. We describe the fermionic fields not belonging to the external frequency by means of a bosonic auxiliary field g. The Hubbard-Stratonovich field Q is introduced only with respect to the fermionic fields for the external frequency.