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arXiv:1303.7105 · Journal of Physics Conference Series

Equilibrium and nonequilibrium many-body perturbation theory: a unified framework based on the Martin-Schwinger hierarchy

Robert van Leeuwen, Gianluca Stefanucci

Published Mar 27, 2013• 14 citations
arXivHTMLPDF

Abstract

We present a unified framework for equilibrium and nonequilibrium many-body perturbation theory. The most general nonequilibrium many-body theory valid for general initial states is based on a time-contour originally introduced by Konstantinov and Perel'. The various other well-known formalisms of Keldysh, Matsubara and the zero-temperature formalism are then derived as special cases that arise under different assumptions. We further present a single simple proof of Wick's theorem that is at the same time valid in all these flavors of many-body theory. It arises simply as a solution of the equations of the Martin-Schwinger hierarchy for the noninteracting many-particle Green's function with appropriate boundary conditions. We further discuss a generalized Wick theorem for general initial states on the Keldysh contour and derive how the formalisms based on the Keldysh and Konstantinov-Perel'-contours are related for the case of general initial states.

DOI
10.1088/1742-6596/427/1/012001

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We present a unified framework for equilibrium and nonequilibrium many-body perturbation theory. The most general nonequilibrium many-body theory valid for general initial states is based on a time-contour originally introduced by Konstantinov and Perel'. The various other well-known formalisms of Keldysh, Matsubara and the zero-temperature formalism are then derived as special cases that arise under different assumptions. We further present a single simple proof of Wick's theorem that is at the same time valid in all these flavors of many-body theory. It arises simply as a solution of the equations of the Martin-Schwinger hierarchy for the noninteracting many-particle Green's function with appropriate boundary conditions. We further discuss a generalized Wick theorem for general initial states on the Keldysh contour and derive how the formalisms based on the Keldysh and Konstantinov-Perel'-contours are related for the case of general initial states.
Schwinger Keldysh field theory is a widely used paradigm to study nonequilibrium dynamics of quantum many-body systems starting from a thermal state. We extend this formalism to describe nonequilibrium dynamics of quantum systems starting from arbitrary initial many-body density matrices. We show how this can be done for both bosons and fermions, and for both closed and open quantum systems, using additional sources coupled to bilinears of the fields at the initial time, calculating Green's functions in a theory with these sources, and then taking appropriate set of derivatives of these Green's functions with respect to initial sources to obtain physical observables. The set of derivatives depends on the initial density matrix. The physical correlators in a dynamics with arbitrary initial conditions do not satisfy Wick's theorem, even for noninteracting systems. However, our formalism constructs intermediate ``$n\ensuremath{-}\mathrm{particle}$ Green's functions'' that obey Wick's theorem and provide a prescription to obtain physical correlation functions from them. This allows us to obtain analytic answers for all physical many-body correlation functions of a noninteracting system even when it is initialized to an arbitrary density matrix. We use these exact expressions to obtain an estimate of the violation of Wick's theorem and relate it to presence of connected multiparticle initial correlations in the system. We illustrate this new formalism by calculating density and current profiles in many-body fermionic and bosonic open quantum systems initialized to nontrivial density matrices. We have also shown how this formalism can be extended to interacting many-body systems.
In this article, we present a concise and self-contained introduction to nonequilibrium statistical mechanics with quantum field theory by considering an ensemble of interacting identical bosons or fermions as an example. Readers are assumed to be familiar with the Matsubara formalism of equilibrium statistical mechanics such as Feynman diagrams, the proper self-energy, and Dyson's equation. The aims are threefold: (i) to explain the fundamentals of nonequilibrium quantum field theory as simple as possible on the basis of the knowledge of the equilibrium counterpart; (ii) to elucidate the hierarchy in describing nonequilibrium systems from Dyson's equation on the Keldysh contour to the Navier-Stokes equation in fluid mechanics via quantum transport equations and the Boltzmann equation; (iii) to derive an expression of nonequilibrium entropy that evolves with time. In stage (i), we introduce nonequilibrium Green's function and the self-energy uniquely on the round-trip Keldysh contour, thereby avoiding possible confusions that may arise from defining multiple Green's functions at the very beginning. We try to present the Feynman rules for the perturbation expansion as simple as possible. In particular, we focus on the self-consistent perturbation expansion with the Luttinger-Ward thermodynamic functional, i.e., Baym's Phi-derivable approximation, which has a crucial property for nonequilibrium systems of obeying various conservation laws automatically. We also show how the two-particle correlations can be calculated within the Phi-derivable approximation, i.e., an issue of how to handle the "Bogoliubov-Born-Green-Kirkwood-Yvons (BBGKY) hierarchy".
We present a compact and simplified proof of a generalized Wick theorem to calculate the Green's function of bosonic and fermionic systems in an arbitrary initial state. It is shown that the decomposition of the noninteracting nnn-particle Green's function is equivalent to solving a boundary problem for the Martin-Schwinger hierarchy; for noncorrelated initial states, a one-line proof of the standard Wick theorem is given. Our result leads to new self-energy diagrams, and an elegant relation with those of the imaginary-time formalism is derived. The theorem is easy to use and can be combined with any ground-state numerical technique to calculate time-dependent properties.
The equation of motion for nonequilibrium Green functions is derived within the framework of the Schwinger and Keldysh formalism of perturbation expansion. For nonequilibrium distribution Green functions, the equation of motion derived from quantum mechanics contains undefined singularities, whose explicit form depends on the specific initial or boundary condition. In the present work, the exact expression of singular terms is found in the equation of motion from the time-looped perturbation theory in which the adiabatic initial condition is implied. Unlike the usual Dyson perturbation formalism or the well known Kadanoff-Baym equation of motion, our resulting equation can be adopted directly for calculations without the graphical analysis, which depends on the specific form of the Hamiltonian. On the basis of this equation of motion, the procedure of a nonperturbative solution is outlined and potential applications are briefly discussed.
The Green's function method is one of the most powerful and versatile formalisms in physics, and its nonequilibrium version has proved invaluable in many research fields. This book provides a unique, self-contained introduction to nonequilibrium many-body theory. Starting with basic quantum mechanics, the authors introduce the equilibrium and nonequilibrium Green's function formalisms within a unified framework called the contour formalism. The physical content of the contour Green's functions and the diagrammatic expansions are explained with a focus on the time-dependent aspect. Every result is derived step-by-step, critically discussed and then applied to different physical systems, ranging from molecules and nanostructures to metals and insulators. With an abundance of illustrative examples, this accessible book is ideal for graduate students and researchers who are interested in excited state properties of matter and nonequilibrium physics.
Abstract The method of the equation of motion is used to derive the Martin–Schwinger hierarchy for the nonequilibrium Green’s functions. The formal closure of the hierarchy is reached by using the selfenergy which provides a recipe for how to construct selfenergies from approximations of the two-particle Green’s function. The Langreth–Wilkins rules for a diagrammatic technique are shown to be equivalent to the weakening of initial correlations. The quantum transport equations are derived in the general form of Kadanoff and Baym equations. The information contained in the Green’s function is discussed. In equilibrium this leads to the Matsubara diagrammatic technique.