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American Journal of Physics

Simple derivation of a general relationship between imaginary- and real-time Green’s/correlation functions

Ben Yu-Kuang Hu

Published May 1, 1993• 4 citations
Publisher

Abstract

Using a simple contour deformation method it is shown that there is a very general relationship between imaginary-time correlation functions and real-time commutators. This method is used to show easy derivations of the equivalence between (1) two dissimilar forms of the Kubo formula for the electrical conductivity tensor σμν(ω), and (2) the imaginary-time-ordered Matsubara and the real-time retarded Green’s functions. In deriving example (1), the infra- red divergent paramagnetic and diamagnetic parts of σμν(ω) arise naturally from the imaginary-time formulation, and can be explicitly combined to give a single simple regular expression at ω→0.

DOI
10.1119/1.17240

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Using a simple contour deformation method it is shown that there is a very general relationship between imaginary-time correlation functions and real-time commutators. This method is used to show easy derivations of the equivalence between (1) two dissimilar forms of the Kubo formula for the electrical conductivity tensor σμν(ω), and (2) the imaginary-time-ordered Matsubara and the real-time retarded Green’s functions. In deriving example (1), the infra- red divergent paramagnetic and diamagnetic parts of σμν(ω) arise naturally from the imaginary-time formulation, and can be explicitly combined to give a single simple regular expression at ω→0.
Motivated by recent work on Hall viscosity, we derive from first principles the Kubo formulas for the stress-stress response function at zero wave vector that can be used to define the full complex frequency-dependent viscosity tensor, both with and without a uniform magnetic field. The formulas in the existing literature are frequently incomplete, incorrect, or lack a derivation; in particular, Hall viscosity is overlooked. Our approach begins from the response to a uniform external strain field, which is an active time-dependent coordinate transformation in ddd space dimensions. These transformations form the group GL(d,R)(d,\mathbb{R})(d,R) of invertible matrices, and the infinitesimal generators are called strain generators. These enable us to express the Kubo formula in different ways, related by Ward identities; some of these make contact with the adiabatic transport approach. The importance of retaining contact terms, analogous to the diamagnetic term in the familiar Kubo formula for conductivity, is emphasized. For Galilean-invariant systems, we derive a relation between the stress response tensor and the conductivity tensor that is valid at all frequencies and in both the presence and absence of a magnetic field. In the presence of a magnetic field and at low frequency, this yields a relation between the Hall viscosity, the q2{q}^{2}q2 part of the Hall conductivity, the inverse compressibility (suitably defined), and the diverging part of the shear viscosity (if any); this relation generalizes a result found recently by others. We show that the correct value of the Hall viscosity at zero frequency can be obtained (at least in the absence of low-frequency bulk and shear viscosity) by assuming that there is an orbital spin per particle that couples to a perturbing electromagnetic field as a magnetization per particle. We study several examples as checks on our formulation. We also present formulas for the stress response that directly generalize the Berry (adiabatic) curvature expressions for zero-frequency Hall conductivity or viscosity to the full tensors at all frequencies.
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.
The contour-ordered Green's function considered in the previous chapter was ideal for discussing general closed time path properties such as the perturbative diagrammatic structure for non-equilibrium states. However, the contour-ordered Green's function lacks physical transparency and does not appeal to intuition. We need a different approach, which brings quantities back to real time. To accomplish this we introduce a representation where forward and return parts of the closed time path are ordered by numbers, specifying the position of a contour time by two indices, i = 1, 2. Next is the diagrammatic perturbation theory in the real-time technique then formulated in a fashion where the aspects of non-equilibrium states emerge in the physically most appealing way. In particular, we shall construct the representation where spectral properties and quantum statistics show up on a different footing in the diagrams. Lastly, we consider the connection to the imaginary-time treatment of non-equilibrium states, and establish its equivalence to the real-time approach propounded in this chapter. Real-time matrix representation To let our physical intuition come into play; we need to get from contour times back to real times. This is achieved by labeling the forward and return contours of the closed time path, depicted in Figure 4.5, by numbers, specifying the position of a contour time by an index. The forward contour we therefore label c 1 and the return contour c 2 , i.e. a contour time variable gets tagged by the label 1 or 2 specifying its belonging to forward or return contour, respectively.
Matsubara dynamics has recently emerged as the most general form of a quantum-Boltzmann-conserving classical dynamics theory for the calculation of single-time correlation functions. Here, we present a generalization of Matsubara dynamics for the evaluation of multitime correlation functions. We first show that the Matsubara approximation can also be used to approximate the two-time symmetrized double Kubo transformed correlation function. By a straightforward extension of these ideas to the multitime realm, a multitime Matsubara dynamics approximation can be obtained for the multitime fully symmetrized Kubo transformed correlation function. Although not a practical method, due to the presence of a phase-term, this multitime formulation of Matsubara dynamics represents a benchmark theory for future development of Boltzmann preserving semiclassical approximations to general higher order multitime correlation functions. It also reveals a connection between imaginary time-ordering in the path integral and the classical dynamics of multitime correlation functions.
It is well established that causal linear response functions can be found by computing the much simpler imaginary time-ordered Matsubara functions and performing an analytic continuation. This principle is the basis for much of our understanding of linear response for interacting and disordered systems, via diagrammatic perturbation theory. Similar imaginary-time approaches have recently been introduced for computing nonlinear response functions as well, for example in [Annalen der Physik 536, 2300504 (2024); Physical Review X 11, 041006 (2021)], where the authors analytically continue the Matsubara functions to obtain the Keldysh response functions. In this work, we provide a proof of this connection to all orders in perturbation theory using an equation of motion based approach. We show by induction that causal nonlinear response functions at every order can be obtained from an analytic continuation of an appropriate time-ordered Matsubara function. We demonstrate this connection explicitly for second order response functions in the Lehmann representation. As a byproduct of our approach, we derive an explicit expression for the Lehmann representation of nnn-th order response functions by solving the equations of motion. We also use our result to find an analytic spectral density representation for both causal response functions and Matsubara functions. As an example, we apply our method to derive the non-linear A3A^3A3 term in the SU(2)SU(2)SU(2) spin Hall response of an insulator with spin rotation symmetry. Finally, we show how our results lead to a family of generalized sum rules, focusing explicitly on the asymptotic expression for nnn-th harmonic generation rate. Our work opens the door to using imaginary time approaches to study nonlinear response functions in general condensed matter systems.