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Thermodynamic Green’s Functions and Spectral Structure

Norman J. M. Horing

Published Jul 27, 2017• 0 citations
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Abstract

Abstract Multiparticle thermodynamic Green’s functions, defined in terms of grand canonical ensemble averages of time-ordered products of creation and annihilation operators, are interpreted as tracing the amplitude for time-developing correlated interacting particle motions taking place in the background of a thermal ensemble. Under equilibrium conditions, time-translational invariance permits the one-particle thermal Green’s function to be represented in terms of a single frequency, leading to a Lehmann spectral representation whose frequency poles describe the energy spectrum. This Green’s function has finite values for both t>t′ and t<t′ (unlike retarded Green’s functions), and the two parts G1> and G1< (respectively) obey a simple proportionality relation that facilitates the introduction of a spectral weight function: It is also interpreted in terms of a periodicity/antiperiodicity property of a modified Green’s function in imaginary time capable of a Fourier series representation with imaginary (Matsubara) frequencies. The analytic continuation from imaginary time to real time is discussed, as are related commutator/anticommutator functions, also retarded/advanced Green’s functions, and the spectral weight sum rule is derived. Statistical thermodynamic information is shown to be embedded in physical features of the one- and two-particle thermodynamic Green’s functions.

DOI
10.1093/oso/9780198791942.003.0007

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Abstract Multiparticle thermodynamic Green’s functions, defined in terms of grand canonical ensemble averages of time-ordered products of creation and annihilation operators, are interpreted as tracing the amplitude for time-developing correlated interacting particle motions taking place in the background of a thermal ensemble. Under equilibrium conditions, time-translational invariance permits the one-particle thermal Green’s function to be represented in terms of a single frequency, leading to a Lehmann spectral representation whose frequency poles describe the energy spectrum. This Green’s function has finite values for both t>t′ and t<t′ (unlike retarded Green’s functions), and the two parts G1> and G1< (respectively) obey a simple proportionality relation that facilitates the introduction of a spectral weight function: It is also interpreted in terms of a periodicity/antiperiodicity property of a modified Green’s function in imaginary time capable of a Fourier series representation with imaginary (Matsubara) frequencies. The analytic continuation from imaginary time to real time is discussed, as are related commutator/anticommutator functions, also retarded/advanced Green’s functions, and the spectral weight sum rule is derived. Statistical thermodynamic information is shown to be embedded in physical features of the one- and two-particle thermodynamic Green’s functions.
Abstract Green-function techniques are among the most versatile tools for investigating quantum many-body systems at finite temperature. Yet, standard textbook treatments often fragment the formalism—separating bosons and fermions, systems with massless and massive particles, or restricting proofs to special Hamiltonians—thereby obscuring the structural unity of the theory. This work develops a general, Hamiltonian-independent framework for both real- and imaginary-time Green-functions, valid for any combination of bosonic and fermionic degrees of freedom, including mixed systems such as interacting electron–phonon models. The key conceptual advance is the nature index η , which complements the conventional statistical sign ζ . While ζ encodes particle statistics, η distinguishes canonical quantization of systems with massless particles ( η = 0) from second quantization of systems with massive particles ( η = 1). This classification removes ambiguities in chemical-potential terms and unifies the treatment of photons, phonons, electrons, and their mixtures under a single notation. From this basis, we formulate generalized ensemble constructions, generalized Lehmann-representations, and a fluctuation-dissipation theorem valid for arbitrary Hamiltonians. Several results—such as the monotonicity of particle number in the chemical potential, an explicit formula for the quadratic contribution to the internal energy from the retarded Green-function, and the Hartree-contribution to the self-energy in electron–phonon systems—are either absent from, or only sparsely mentioned in, existing literature. We further introduce Green’s Chart, a visual and algebraic map that systematically connects all Green-function types through analytic continuation, Fourier-transforms, and Wick-rotations, enabling all to be generated from the Matsubara Green-function. Applications to both non-interacting and interacting models demonstrate the framework’s ability to compute densities of states, thermodynamic potentials, and spectral functions with a consistent formalism. The results provide a complete and reproducible toolkit for equilibrium many-body theory, consolidating scattered results into a unified structure suitable for both pedagogical and computational purposes.
In this work we will establish the definitions of the Green’s functions in statistical mechanics and their basic properties. These functions depend on double-time and temperature. It can be observed by mean of theier definitions, where we can find the medium values of the operators product, this average is done over the grand canonical ensemble, for instance, (FAB(t − t0) ≡ hAˆ(t)Bˆ(t0)i ou FBA(t − t0) ≡ hBˆ(t0)Aˆ(t)i), with β = 1/kBT, and T is the absolute temperature. The operators involved in theses functions satisfy the Heisenberg equation of motion, which permit us describe the evolution equations for Green’s functions. By mean of spectral representation of the time correlation functions(FAB(t−t0) ≡ hAˆ(t)Bˆ(t0 )i or FBA(t−t0) ≡ hBˆ(t0)Aˆ(t)i), that is done by the introduction of a Fourier transform to change the system from time-space to frequency-space, we can obtain the spectral representations for the retarded Gr, advanced Gr e causal Gc green’s functions. Lastly, we will make the use of retarded green’s function to describe the electrical conductivity of a system of electrons under a external time-dependent electric field, in others words, we will write the electrical conductivity tensor in terms of Gr and, at last, we will calculate the electrical conductivity of a system of electrons and phonons.
Abstract Chapter 09 Nonequilibrium Green’s functions (NEGF), including coupled-correlated (C) single- and multi-particle Green’s functions, are defined as averages weighted with the time-development operator U(t0+τ,t0). Linear conductivity is exhibited as a two-particle equilibrium Green’s function (Kubo-type formulation). Admitting particle sources (S:η,η+) and non-conservation of number, the non-equilibrium multi-particle Green’s functions are constructed with numbers of creation and annihilation operators that may differ, and they may be derived as variational derivatives with respect to sources η,η+ of a generating functional eW=TrU(t0+τ,t0)CS/TrU(t0+τ,t0)C. (In the non-interacting case this yields the n-particle Green’s function as a permanent/determinant of single-particle Green’s functions.) These variational relations yield a symmetric set of multi-particle Green’s function equations. Cumulants and the Linked Cluster Theorem are discussed and the Random Phase Approximation (RPA) is derived variationally. Schwinger’s variational differential formulation of perturbation theories for the Green’s function, self-energy, vertex operator, and also shielded potential perturbation theory, are reviewed. The Langreth Algebra arises from analytic continuation of integration of products of Green’s functions in imaginary time to the real-time axis with time-ordering along the integration contour in the complex time plane. An account of the Generalized Kadanoff-Baym Ansatz is presented.
Develops the many-body one-particle Green function, and explains its physical interpretation in terms of the spectral function, self-energy, and quasiparticle. lifetime. Its application in angle-resolved photoemission spectroscopy is presented in detail. The time-evolution operator in the interaction picture is derived, and time-ordering and adiabatic switching-on are introduced as precursor tools to construct the Feynman–Dyson many-body perturbation theory. A detailed account of Wick’s theorem, normal ordering, and contractions is outlined. Feynman diagrams are constructed, and the emergence of the infinite Dyson series from irreducible diagrams is outlined. Two-particle Green function and the particle-hole excitation spectra are developed. Diagramatic application of RPA for interacting systems is described. The finite-temperature Matsubara Green function is introduced and developed, together with its Fourier series representation and the evaluation of Matsubara sums.
Abstract The spectral properties of the nonequilibrium Green’s functions are explored. Causality and sum rules are shown to be completed by the extended quasiparticle picture. The off-shell motion is seen to become visible in satellite structures of the spectral function. Different forms of ansatz to reduce the two-time Green’s function to a one-time reduced density matrix are discussed with respect to the consistency to other approximations. We have seen from the information contained in the correlation function that the statistical weight of excitations with which the distributions are populated are given by the spectral function. This momentum-resolved density of state can be found by the retarded and advance functions.
We investigate the possibility to assist the numerically ill-posed calculation of spectral properties of interacting quantum systems in thermal equilibrium by extending the imaginary-time simulation to a finite Schwinger-Keldysh contour. The effect of this extension is tested within the standard maximum entropy approach to analytic continuation. We find that the inclusion of real-time data improves the resolution of structures at high energy, while the imaginary-time data are needed to correctly reproduce low-frequency features such as quasiparticle peaks. As a nonequilibrium application, we consider the calculation of time-dependent spectral functions from retarded Green function data on a finite time interval, and compare the maximum entropy approach to direct Fourier transformation and a method based on Padé approximants.