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CRC Press eBooks

- Green Functions: Matsubara and Nonequilibrium

Girish S. Setlur

Published Dec 5, 2013• 0 citations
Publisher

Abstract

In this chapter, we discuss the central concept in many-body physics, namely the single-particle Green function. It is shown that many physical observables, such as current and number density, are related to this object. However, this quantity is more important than that since it provides information of the nature of ‘quasiparticles’. If we choose to characterize the atomic constituents of the model being studied minus the mutual interactions among the constituents-‘particles’, then ‘quasiparticles’ would be the effective description of such particles in the presence of such mutual interaction between the constituents. The single-particle Green function contains information about the energy momentum relation of these quasiparticles and also their lifetime. We consider this concept both for systems in thermodynamic equilibrium and for systems out of equilibrium.

DOI
10.1201/b16133-15

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Cambridge University Press eBooks•May 31, 2016•0 citations
In this chapter, we discuss the central concept in many-body physics, namely the single-particle Green function. It is shown that many physical observables, such as current and number density, are related to this object. However, this quantity is more important than that since it provides information of the nature of ‘quasiparticles’. If we choose to characterize the atomic constituents of the model being studied minus the mutual interactions among the constituents-‘particles’, then ‘quasiparticles’ would be the effective description of such particles in the presence of such mutual interaction between the constituents. The single-particle Green function contains information about the energy momentum relation of these quasiparticles and also their lifetime. We consider this concept both for systems in thermodynamic equilibrium and for systems out of equilibrium.
Introduction In this and the next two chapters we lay down the basis to go beyond the Hartree–Fock approximation. We develop a powerful approximation method with two main distinctive features. The first feature is that the approximations are conserving . A major difficulty in the theory of nonequilibrium processes consists in generating approximate Green's functions yielding a particle density n (x, t ) and a current density J (x, t ) which satisfy the continuity equation, or a total momentum P ( t ) and a Lorentz force F ( t ) which is the time-derivative of P ( t ), or a total energy E ( t ) and a total power which is the time-derivative of E ( t ), etc. All these fundamental relations express the conservation of some physical quantity. In equilibrium the current is zero and hence the density is conserved, i.e., it is the same at all times; the force is zero and hence the momentum is conserved; the power fed into the system is zero and hence the energy is conserved, etc. The second important feature is that every approximation has a clear physical interpretation. In Chapter 7 we showed that the two-particle Green's function in the Hartree and Hartree–Fock approximation can be represented diagrammatically as in Fig. 7.1 and Fig. 7.2 respectively. In these diagrams two particles propagate from (1′, 2′) to (1, 2) as if there was no interaction.
We show that the single-particle Green's functions used in many body theory have an elegant description in the form of hyperfunctions. We summarize the necessary hyperfunction concepts. We show that the analytical properties and the relations between different Green's functions are natural within this formulation. Important results from the standard formalism are recovered straightforwardly. We argue that hyperfunctions could possibly provide a powerful new tool for many body theory, if the formalism could be developed beyond single-particle Green's functions.
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.
We present results for many-body perturbation theory for the one-body Green's function at finite temperatures using the Matsubara formalism. Our method relies on the accurate representation of the single-particle states in standard Gaussian basis sets, allowing to efficiently compute, among other observables, quasiparticle energies and Dyson orbitals of atoms and molecules. In particular, we challenge the second-order treatment of the Coulomb interaction by benchmarking its accuracy for a well-established test set of small molecules, which includes also systems where the usual Hartree-Fock treatment encounters difficulties. We discuss different schemes how to extract quasiparticle properties and assess their range of applicability. With an accurate solution and compact representation, our method is an ideal starting point to study electron dynamics in time-resolved experiments by the propagation of the Kadanoff-Baym equations.
This chapter describes the salient properties of zero-temperature, real-time finite temperature, and thermal Green's functions in turn. It considers the effect of the energy and momentum dependence of the self-energy on quasiparticle propagation in an interacting Fermi system. The chapter illustrates the major points for the case of a nucleon in translationally invariant nuclear matter. Although Green's functions were introduced because of their physical connection to response functions, they contain sufficient information to evaluate all ground state observables or thermal averages. The real-time Green's function, which describes the physical response of a system, may thereby, be obtained from the thermal Green's function. The essential point in relating the optical potential to the self-energy is the observation that the wave function can be written in terms of the one-particle Green's function. A good approximation to the response may be obtained using the response function for a non-interacting Fermi gas corrected for the medium dependence of the nucleon self-energy.
Preparation, I have often said, is rightly two-thirds of any venture. Amelia Earhart Summary Correlation functions provide a direct way to characterize and analyze many-body systems, both theoretically and experimentally. In this chapter we review the properties of one- and two-body correlation functions in quantum systems, with emphasis on several key quantities: static density correlations that determine the energy and thermodynamic potentials, dynamic correlation functions such as response functions that describe excitations of the system, and Green's functions that are basic tools in the theory of interacting many-body systems. Correlation functions are central quantities in the description of interacting many-body systems, both in the theoretical formulation and in the analysis of experiments. In contrast to single numbers like the total energy, correlation functions reveal far more information about the electrons, how they arrange themselves, and the spectra of their excitations. In contrast to the many-body wavefunctions that contain all the information on the system, correlation functions extract the information most directly relevant to experimentally measurable properties. Dynamic current–current correlation functions are sufficient to determine the electrical and optical properties: one-body Green's functions describe the spectra of excitations when one electron is added to or removed from the system, static and dynamic correlations are measured using scattering techniques, and so forth. In this chapter we present the basic definitions and properties of correlation functions and Green's functions that are the basis for much of the developments in the following chapters. In general, a correlation function quantifies the correlation between two or more quantities at different points in space r , time t , or spin σ . Very often the correlation function can be specified as a function of the Fourier-transformed variables, momentum (wavevector) k , and frequency ω . It is useful to distinguish between a dynamic correlation function which describes the correlation between events at different times and a static or equal-time correlation function, by which we mean that of a property measured or computed with “snapshots” of the system. Also, the different correlation functions can be classified by the number of particles and/or fields involved.