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Physical Review A

Green's-Function Method for Canonical Ensembles. II. Response-Function Calculations

James W. F. Woo, P. C. Kwok

Published Jun 1, 1971• 1 citation
Publisher

Abstract

The calculation of response functions in the Green's-function method for canonical ensembles is illustrated. The example given is the evaluation of the susceptibility of a lattice of magnetic ions in the mean-field approximation.
DOI
10.1103/physreva.3.2039

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A new thermodynamic Green's-function method is developed to handle interacting many-body systems containing a small subsystem with a fixed number of particles. The new method involves the use of the canonical ensemble and is more complicated than the usual Green's-function method. But, by means of the functional derivative technique, it is shown that systematic perturbative procedures are available and can be carried out in an entirely straight-forward manner. The example given in the present paper is the system of phonons interacting with a fixed number of fermions. It serves to illustrate the general formulation as well as perturbation calculation in the new method.
Part I: Green's Functions in Mathematical Physics - Time-Independent Green's Functions / Time-dependent Green's Functions / Part II: One-Body Green's Functions - Physical Significance of One-Body Green's Functions / Green's Functions and Perturbation Theory / Green's Functions for Tight-Binding Hamiltonians / Single Impurity Scattering / Extension Theory for Lattice Green's Functions / Part III: Many-Body Green's Functions - Field Operators and Three Pictures / Definition and Properties of Many-Body Green's Functions / The Diagram Technique for Zero-Temperature Green's Functions / Definition and Properties of Matsubara Green's Functions / Diagram Technique for the Matsubara Green's Functions / Three Approximation Schemes of the Diagram Technique / Linear Response Theory / The Equation of Motion Technique for the Green's Functions / Magnetic Systems Described by Heisenberg Model / The Green's Functions for Boson Systems with Condensation / Superconductors with Weak Interaction Between Electrons / Nonequilibrium Green's Functions / Electronic Transport through a Mesoscopic Structure / Appendixes / Index.
In Chapter 9 we applied the second quantization to the Hartree–Fock method. In this chapter we provide the basic aspects of the thermal Green function method, which is convenient for systematic perturbative expansion beyond the mean-field approximation. Several problems in quantum statistical mechanics can be elegantly and compactly described in terms of the so-called Matsubara Green functions (Matsubara (1955); Abrikosov et al. (1963)). Hence, if on one hand, the density matrix description, often used in the previous chapters, has a more direct physical interpretation, on the other hand the Green function method is far more powerful and takes advantage of a handy diagrammatic perturbation expansion. In the following chapters, we rely on the Green function for a more complete treatment of some many-body problems. To be self contained we introduce here this technical chapter with a short presentation of the by now standard Green function method. For a comprehensive treatment we refer the reader to the many books available and in particular to Abrikosov et al. (1963). The Matsubara Green function The main aim of quantum statistical mechanics is the evaluation of the partition function (see Eqs. (6.31) and (6.32)), e.g. in the grand canonical ensemble In the case of quantum gases one can evaluate Ƶ exactly as we did in Chapter 7. In general, the evaluation of the partition function is a difficult task and it is useful to use perturbation theory to obtain approximate solutions. To set up a perturbation theory, one begins by splitting the Hamiltonian as H = H 0 + H i, where H 0 represents the “easy” part, which can be solved exactly. In the second step, one could naturally think of expanding the exponential of the interacting part H i in order to write the partition function as a perturbative series. However, such a procedure requires extreme care due to the non-commutative nature of operators in quantum mechanics. The way of solving this problem is via the “ time ” ordering of operators in each term of the perturbative expansion. It can be shown, as we shall see in the present chapter, that the quantum statistical average of any time-ordered sequence of operators with respect to the unperturbed Hamiltonian H 0 can be expressed in terms of elementary quantum statistical averages of two field operators. Such elementary averages are called Green functions and in this section we introduce the basic definitions concerning them.
In this paper, we present the details of the dual fermion (DF) method to study the nonlocal corrections to the single-site dynamical mean-field theory (DMFT). The DMFT two-particle Green's function is calculated using continuous-time quantum Monte Carlo method. The momentum dependence of the vertex function is analyzed and its renormalization based on the Bethe-Salpeter equation is performed in the particle-hole channel. We found magnetic instability for both the dual and the lattice fermions. Furthermore, the lattice fermion susceptibility is calculated in this method and also in another recently proposed method, namely, dynamical vertex approximation $(\text{D}\ensuremath{\Gamma}\text{A})$. The comparisons between these two methods are presented in both weak- and strong-coupling regions. Compared to the results from the quantum Monte Carlo calculation, the susceptibility obtained from the DF and $\text{D}\ensuremath{\Gamma}\text{A}$ methods are satisfactory.