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arXiv:0802.0620

Formalism of Nonequilibrium Perturbation Theory and Kondo Effect

Mami Hamasaki

Published Feb 5, 2008• 0 citations
arXivHTMLPDF

Abstract

The formalism of nonequilibrium perturbation theory was constructed by Schwinger and Keldysh and then was developed with the diagrammatical technique by Lifshitz and Pitaevskii. Until now there has been widespread application to various researches in physics, condensed matter, plasmas, atoms and molecules, nuclear matter etc.. In spite of this, the formalism has not been established as perturbation theory. For example, there is no perturbative method to derive arbitrary self-energy properly. In addition, the connection with other formalism, e.g., the Matsubara imaginary-time perturbative formalism is uncertain. Although there must be the relationship between self-energies in the perturbative formalism, such basic problems remain to be solved. The solution is given by the present work. The real-time perturbative expansion is performed on the basis of the adiabatic theorem. As the results, the requirements of self-energies as functions in time are demonstrated and the formulated self-energies meet the known relations. Besides, it gives exact agreement with functions derived by perturbative expansion in imaginary-time and analytical continuity. As a consequence, it implies that the present formalism can be generalized.

DOI
10.48550/arxiv.0802.0620

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The formalism of nonequilibrium perturbation theory was constructed by Schwinger and Keldysh and then was developed with the diagrammatical technique by Lifshitz and Pitaevskii. Until now there has been widespread application to various researches in physics, condensed matter, plasmas, atoms and molecules, nuclear matter etc.. In spite of this, the formalism has not been established as perturbation theory. For example, there is no perturbative method to derive arbitrary self-energy properly. In addition, the connection with other formalism, e.g., the Matsubara imaginary-time perturbative formalism is uncertain. Although there must be the relationship between self-energies in the perturbative formalism, such basic problems remain to be solved. The solution is given by the present work. The real-time perturbative expansion is performed on the basis of the adiabatic theorem. As the results, the requirements of self-energies as functions in time are demonstrated and the formulated self-energies meet the known relations. Besides, it gives exact agreement with functions derived by perturbative expansion in imaginary-time and analytical continuity. As a consequence, it implies that the present formalism can be generalized.
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.
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.
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 discuss the formal relationship between the real-time Keldysh and imaginary-time theory for nonequilibrium in quantum dot systems. The latter can be reformulated using the recently proposed Matsubara-voltage approach. We establish general conditions for correct analytic continuation procedure on physical observables, and apply the technique to the calculation of static quantities in steady-state nonequilibrium for a quantum dot subject to a finite bias voltage and external magnetic field. Limitations of the Matsubara voltage approach are also pointed out.
The self-energy functional theory (SFT) is generalized to describe the real-time dynamics of correlated lattice-fermion models far from thermal equilibrium. This is achieved by starting from a reformulation of the original equilibrium theory in terms of double-time Green's functions on the Keldysh-Matsubara contour. With the help of a generalized Luttinger-Ward functional, we construct a functional $\stackrel{\ifmmode \hat{}\else \^{}\fi{}}{\ensuremath{\Omega}}[\ensuremath{\Sigma}]$ which is stationary at the physical (nonequilibrium) self-energy $\ensuremath{\Sigma}$ and which yields the grand potential of the initial thermal state $\ensuremath{\Omega}$ at the physical point. Nonperturbative approximations can be defined by specifying a reference system that serves to generate trial self-energies. These self-energies are varied by varying the reference system's one-particle parameters on the Keldysh-Matsubara contour. In the case of thermal equilibrium, this approach reduces to the conventional SFT. Contrary to the equilibrium theory, however, ``unphysical'' variations, i.e., variations that are different on the upper and the lower branches of the Keldysh contour, must be considered to fix the time dependence of the optimal physical parameters via the variational principle. Functional derivatives in the nonequilibrium SFT Euler equation are carried out analytically to derive conditional equations for the variational parameters that are accessible to a numerical evaluation via a time-propagation scheme. Approximations constructed by means of the nonequilibrium SFT are shown to be inherently causal, internally consistent, and to respect macroscopic conservation laws resulting from gauge symmetries of the Hamiltonian. This comprises the nonequilibrium dynamical mean-field theory but also dynamical-impurity and variational-cluster approximations that are specified by reference systems with a finite number of degrees of freedom. In this way, nonperturbative and consistent approximations can be set up, the numerical evaluation of which is accessible to an exact-diagonalization approach.
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.