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arXiv:cond-mat/0312257 · AIP conference proceedings

Composite operators and algebra constraints: a formalism for highly interacting systems

Ferdinando Mancini

Published Jan 1, 2003• 1 citation
arXivHTMLPDF

Abstract

A formalism for the study of highly interacting electronic systems is presented. The proposed scheme is based on two key concepts: composite operators and algebra constraints. Composite field operators, that naturally appear as a consequence of interaction, are promoted to the rank of basic fields in terms of which a perturbation formulation is set up. The formalism is based on the use of Green’s function and equation of motion method. The use of composite operators requires a revisitation of the Green’s function formulation, where the representation is determined by means of algebra constraints which are a manifestation at macroscopic level of the algebra rules and symmetry properties obeyed at microscopic level.

DOI
10.1063/1.1639593

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A formalism for the study of highly interacting electronic systems is presented. The proposed scheme is based on two key concepts: composite operators and algebra constraints. Composite field operators, that naturally appear as a consequence of interaction, are promoted to the rank of basic fields in terms of which a perturbation formulation is set up. The formalism is based on the use of Green’s function and equation of motion method. The use of composite operators requires a revisitation of the Green’s function formulation, where the representation is determined by means of algebra constraints which are a manifestation at macroscopic level of the algebra rules and symmetry properties obeyed at microscopic level.
We present a formalism for the description of many-particle systems when the particles are themselves composites of several elementary constituents. We investigate specifically the case of composites made up of two fermions, the method being easily extended to more general composites. The formalism, although its development is guided by the knowledge that there are fermion constituents in the composites, is given entirely in the composite language and requires no reference to these underlying fermions. Thus, the procedure maintains all required symmetries at every step. Composite field operators satisfying all symmetries are defined, these fields obeying neither Bose nor Fermi commutation rules, but more complicated ones. The many-composite dynamics is studied via the Green's functions formed from composite operator products. A Hartree-Fock-like approximation is introduced and leads to the generation of composite wave functions describing the distortion of the composite internal states by the presence of other composites in the system.
This is the first of a series of papers dealing with many-particle systems from a unified, nonperturbative point of view. It contains derivations and discussions of various field-theoretical techniques which will be applied in subsequent papers. In a short introduction the general method of approach is summarized, and its relationship to other field-theoretic problems indicated. In the second section the macroscopic properties of the spectra of many-particle systems are described. Asymptotic evaluations are performed which characterize these macroscopic features in terms of intensive parameters, and the relationship of these parameters to thermodynamics is discussed. The special characteristics of the ground state are shown to follow as a limiting case of the asymptotic evaluations. The third section is devoted to the time-dependent field correlation functions, or Green's functions, which describe the microscopic behavior of a multiparticle system. These functions are defined, and related to intensive macroscopic variables when the energy and number of particles are large. Spectral representations and other properties of various one-particle Green's functions are derived. In the fourth section the treatment of non-equilibrium processes is considered. As a particular example, the electromagnetic properties of a system are expressed in terms of the special two-particle Green's function which describes current correlation. The discussion yields specifically a fluctuation-dissipation theorem, a sum rule for conductivity, and certain dispersion relations. The fifth section deals with the differential equations which determine the Green's functions. The boundary conditions that characterize the Green's function equations are exhibited without reference to adiabatic decoupling. A method for solving the equations approximately, by treating the correlations among successively larger numbers of particles, is considered. The first approximation in this sequence is shown to yield a generalized Hartree-like equation. A related, but rigorous, identity for the single-particle Green's function is then derived. A second approximation, which takes certain two-particle correlations into account, is shown to produce various additional effects: The interaction between particles is altered in a manner characterized by the intensive macroscopic parameters, and the modification and spread of the energy-momentum relation come into play. In the final section compact formal expressions for the Green's functions and other physical quantities are derived. Alternative equations and systematic approximations for the Green's functions are obtained.
A well-established method to deal with highly correlated systems is based on the expansion of the Green's function in terms of spectral moments. In the context of the Composite Operator Method one approximation is proposed: a set of n composite fields is assumed as fundamental basis and the dynamics is considered up to the order s. The resulting Green's function has a sn-pole structure. The truncation of the hierarchy of the equations of motion is made at the s-th order and the first s-1 equations are treated exactly. A theorem, which rules the conservation of the spectral moments, is presented. The procedure is applied to the Hubbard model and a recurrence relation for the calculation of its electronic spectral moments is derived.
A formalism for treating the many-body problem of composite particles is presented for the case of composite particles consisting of two fermions. Commutation relations for composite-particle operators are derived, as well as a sum rule satisfied by the composite-particle Green's function. In an approximation that shuts off the interactions between composite particles in a consistent manner, the dynamical equation for the one-composite-particle Green's function is solved and the distribution function for the composite particles obtained. Possible applications to real systems are discussed.
A description is provided of the common conceptual origins of many-body equations of motion and Green's function methods in Liouville operator formulations of the quantum mechanics of atomic and molecular electronic structure. Numerical evidence is provided to show the inadequacies of the traditional strictly perturbative approaches to these methods. Nonperturbative methods are introduced by analogy with techniques developed for handling large configuration interaction calculations and by evaluating individual matrix elements to higher accuracy. The important role of higher excitations is exhibited by the numerical calculations, and explicit comparisons are made between converged equations of motion and configuration interaction calculations for systems where a fundamental theorem requires the equality of the energy differences produced by these different approaches.