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arXiv:cond-mat/0511062 · Journal of Physics Conference Series

Steady-state nonequilibrium dynamical mean-field theory and the quantum Boltzmann equation

James K. Freericks, Volodymyr Turkowski

Published Apr 1, 2006• 4 citations
arXivHTMLPDF

Abstract

We derive the formalism for steady state nonequilibrium dynamical mean-field theory in a real-time formalism along the Keldysh-Kadanoff-Baym contour. The resulting equations of motion are first transformed to Wigner coordinates (average and relative time), and then re-expressed in terms of differential operators. Finally, we perform a Fourier transform with respect to the relative time, and take the first-order limit in the electric field to produce the quantum Boltzmann equation for dynamical mean-field theory. We next discuss the structure of the equations and their solutions, describing how these equations reduce to the Drude result in the limit of a constant relaxation time. We also explicitly demonstrate the equivalence between the Kubo and nonequilibrium approaches to linear response. There are a number of interesting modifications of the conventional quantum Boltzmann equation that arise due to the underlying bandstructure of the lattice.

DOI
10.1088/1742-6596/35/1/004

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We derive the formalism for steady state nonequilibrium dynamical mean-field theory in a real-time formalism along the Keldysh-Kadanoff-Baym contour. The resulting equations of motion are first transformed to Wigner coordinates (average and relative time), and then re-expressed in terms of differential operators. Finally, we perform a Fourier transform with respect to the relative time, and take the first-order limit in the electric field to produce the quantum Boltzmann equation for dynamical mean-field theory. We next discuss the structure of the equations and their solutions, describing how these equations reduce to the Drude result in the limit of a constant relaxation time. We also explicitly demonstrate the equivalence between the Kubo and nonequilibrium approaches to linear response. There are a number of interesting modifications of the conventional quantum Boltzmann equation that arise due to the underlying bandstructure of the lattice.
The quantum Boltzmann equation (QBE), originally formulated as the quantum extension of Boltzmann’s classical transport theory by Uehling and Uhlenbeck and subsequently developed within the nonequilibrium Green-function formalisms of Kadanoff–Baym and Keldysh, provides the central kinetic framework for describing relaxation and transport in weakly interacting quantum many-body systems. Although its formal structure is well established, conventional derivations often obscure the microscopic equivalence between operator and nonequilibrium Green-function approaches. Wick factorization is typically applied without explicitly enumerating real-time contractions, while Green-function treatments encode the same physics in Born-level self-energies that conceal their operator origin. In this paper, we present a pedagogical microscopic derivation of the quantum Boltzmann equation that makes this equivalence fully explicit. Starting from the ladder-operator formulation, we enumerate all fifteen Wick pairings of the second-order six-field correlator, identifying three Hartree–Fock contributions and twelve real-time Born scattering channels generated by a quartic, number-conserving interaction Hamiltonian. We then establish a one-to-one correspondence between these twelve operator contractions and the Keldysh components of the second-order Born self-energy, demonstrating explicitly how the Uehling–Uhlenbeck collision integral emerges after Wigner transformation and quasiparticle projection. Under controlled Born–Markov and quasiparticle approximations, this work offers a transparent synthesis of operator and Green-function formulations, and clarifies how kinetic fluctuations can be understood as emergent under coarse-graining.
We present a review of our recent work in extending the successful dynamical mean-field theory from the equilibrium case to nonequilibrium cases. In particular, we focus on the problem of turning on a spatially uniform, but possibly time varying, electric field (neglecting all magnetic field effects). We show how to work with a manifestly gauge-invariant formalism, and compare numerical calculations from a transient-response formalism to different types of approximate treatments, including the semiclassical Boltzmann equation and perturbation theory in the interaction. In this review, we solve the nonequilibrium problem for the Falicov-Kimball model, which is the simplest many-body model and the easiest problem to illustrate the nonequilibrium behavior in both diffusive metals and Mott insulators. Due to space restrictions, we assume the reader already has some familiarity both with the Kadanoff-Baym-Keldysh nonequilibrium formalism and with equilibrium dynamical mean-field theory; we provide a guide to the literature where additional details can be found.
Collective orders and photoinduced phase transitions in quantum matter can evolve on timescales which are orders of magnitude slower than the femtosecond processes related to electronic motion in the solid. Quantum Boltzmann equations can potentially resolve this separation of timescales, but are often constructed by assuming the existence of quasiparticles. Here we derive a quantum Boltzmann equation which only assumes a separation of timescales (taken into account through the gradient approximation for convolutions in time), but is based on a nonperturbative scattering integral, and makes no assumption on the spectral function such as the quasiparticle approximation. In particular, a scattering integral corresponding to nonequilibrium dynamical mean-field theory is evaluated in terms of an Anderson impurity model in a nonequilibrium steady state with prescribed distribution functions. This opens the possibility to investigate dynamical processes in correlated solids with quantum impurity solvers designed for the study of nonequilibrium steady states.
Quantum response theory is a cornerstone of statistical physics.However, the standard Kubo formalism is restricted to isolated equilibrium systems.We here generalize Kubo's results to open quantum systems in nonequilibrium steady states.We derive three different, but equivalent, forms of the quantum response function.We discuss for each of them the role of the noncommutativity of quantum operators and introduce a steady-state extension of the Kubo transformation.We show in particular that the equilibrium response vanishes for perturbations that commute with the unperturbed Hamiltonian, while the steady-state response does not, highlighting the profound difference between the two linear response theories.
We solve the Kadanoff-Baym equations for nonequilibrium initial configurations of the φ 4-theory in 2+1 dimensions and compare to explicit solutions of generalized transport equations for the same theory. The latter transport equations are derived from the Kadanoff-Baym equation in a first order gradient expansion in phase space and explicitly retain the off-shell dynamics as inherent in the timedependent spectral functions. The solutions of these equations compare very well with the exact solutions of the full Kadanoff-Baym equations with respect to the occupation numbers of the individual modes, the spectral evolution as well as the chemical equilibration process. Furthermore, the proper equilibrium off-shell distribution is reached for large times contrary to the quasiparticle Boltzmann limit. We additionally present a direct comparison of the solution of the generalized transport equations in the Kadanoff-Baym and Botermans-Malfliet form; both solutions are found to agree very well with each other. PACS: 06.60.+w; 05.70.Ln; 11.10.Wx; 24.10.-i; 25.75.-q Keywords: Many-body theory; finite temperature field theory; out-of-equilibrium quantum field theory; nonequilibrium statistical physics; relativistic heavy-ion collisions Part of the PhD thesis of S. Juchem
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".