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International Journal of Modern Physics B

THE HUBBARD-STRATONOVICH TRANSFORMATION AND THE HUBBARD MODEL

Sandro Sorella

Published Apr 1, 1991• 16 citations
Publisher

Abstract

The Hubbard-Stratonovich transformation allows one to formulate the problem of calculating the ground state properties of a many-body theory as one of sampling a distribution. This distribution is constructed by propagating a trial wave function under the influence of a one-body time-dependent external field. However, a straightforward application of the Hubbard-Stratonovich transformation gives distributions which are not always positive definite for a generic trial wave function. In this work it is rigorously shown that, for the Hubbard model, in many cases the non-positiveness of this distribution is not important for reaching the infinite imaginary time limit, i.e., the ground state properties.

DOI
10.1142/s0217979291000493

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The Hubbard-Stratonovich transformation allows one to formulate the problem of calculating the ground state properties of a many-body theory as one of sampling a distribution. This distribution is constructed by propagating a trial wave function under the influence of a one-body time-dependent external field. However, a straightforward application of the Hubbard-Stratonovich transformation gives distributions which are not always positive definite for a generic trial wave function. In this work it is rigorously shown that, for the Hubbard model, in many cases the non-positiveness of this distribution is not important for reaching the infinite imaginary time limit, i.e., the ground state properties.
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.
The ground state of a many-electron system can be projected from a trial state using an integral of one-electron projectors over a set of Hubbard-Stratonovich auxiliary fields. We have explored several alternative formulations of this method and find that the convergence of the ground-state energy with the number of field variables can be dramatically improved by choosing the appropriate one. This is illustrated using the two-dimensional Hubbard model as an example. These results are also used to examine the error associated with neglecting the so-called ``sign problem'' common to quantum Monte Carlo many-fermion calculations.
The auxiliary-field quantum Monte Carlo method is reviewed. The Hubbard-Stratonovich transformation converts an interacting Hamiltonian into a non-interacting Hamiltonian in a time-dependent stochastic field, allowing calculation of the resulting functional integral by Monte Carlo methods. The method is presented in a sufficiently general form to be applicable to any Hamiltonian with one- and two-body terms, with special reference to the Heisenberg model and one- and many-band Hubbard models. Many physical correlation functions can be related to correlation functions of the auxiliary field; general results are given here. Issues relating to the choice of auxiliary fields are addressed; operator product identities change the relative dimensionalities of the attractive and repulsive parts of the interaction. Frequently the integrand is not positive-definite, rendering numerical evaluation unstable. If the auxiliary field violates time-reversal invariance, the integrand is complex and this sign problem becomes a phase problem. The origin of this sign or phase is examined from a number of geometrical and other viewpoints and illustrated by simple examples: the phase problem by the spin (1/2) Heisenberg model, and the sign problem by the attractive SU(N) Hubbard model on a triangular molecule with negative hopping integrals. In the latter case, widely studied in the Jahn-Teller literature, the sign is due neither to fermions nor spin, but to frustration. This system is used to illustrate a number of suggested interpretations of the sign problem.
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 Recently, doubts have been cast on the validity of the continuous-time coherent state path integral. This has led to controversies regarding the correct way of performing calculations with path integrals, and to several alternative definitions of what should be their continuous limit. Furthermore, the issue of a supposedly proper ordering of the Hamiltonian operator, entangled with the continuous-time limit, has led to considerable confusion in the literature. Since coherent state path integrals are at the basis of the modern formulation of many-body quantum theory, it should be laid on solid foundations. Here, we show that the issues raised above are coming from the illegitimate use of the (standard) rules of calculus, which are not necessarily valid in path integrals. This is well known in the context of stochastic equations, in particular in their path integral formulation. This insight allows for solving these issues and addressing the correspondence between the various orderings at the level of the path integral. We also use this opportunity to address the proper calculation of a functional determinant in the presence of a Hubbard–Stratonovich field, which shares in the controversies.