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Physical review. D/Physical review. D.

Real-time methods for spectral functions

Johannes V. Roth, Dominik Schweitzer, Leon J. Sieke, Lorenz von Smekal

Published Jun 22, 2022• 21 citations
Publisher

Abstract

In this paper we develop and compare different real-time methods to calculate spectral functions. These include classical-statistical simulations, the Gaussian state approximation (GSA), and the functional renormalization group (FRG) formulated on the Keldysh closed-time path. Our test-bed system is the quartic anharmonic oscillator, a single self-interacting bosonic degree of freedom, coupled to an external heat bath providing dissipation analogous to the Caldeira-Leggett model. As our benchmark we use the spectral function from exact diagonalization with constant Ohmic damping. To extend the GSA for the open system, we solve the corresponding Heisenberg-Langevin equations in the Gaussian approximation. For the real-time FRG, we introduce a novel general prescription to construct causal regulators based on introducing scale-dependent fictitious heat baths. Our results explicitly demonstrate how the discrete transition lines of the quantum system gradually build up the broad continuous structures in the classical spectral function as temperature increases. At sufficiently high temperatures, classical, GSA, and exact-diagonalization results all coincide. The real-time FRG is able to reproduce the effective thermal mass, but it overestimates broadening and only qualitatively describes higher excitations, at the present order of our combined vertex and loop expansion. As temperature is lowered, the GSA follows the ensemble average of the exact solution better than the classical spectral function. In the low-temperature strong-coupling regime, the qualitative features of the exact result are best captured by our real-time FRG calculation, with quantitative improvements to be expected at higher truncation orders.

DOI
10.1103/physrevd.105.116017

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In this paper we develop and compare different real-time methods to calculate spectral functions. These include classical-statistical simulations, the Gaussian state approximation (GSA), and the functional renormalization group (FRG) formulated on the Keldysh closed-time path. Our test-bed system is the quartic anharmonic oscillator, a single self-interacting bosonic degree of freedom, coupled to an external heat bath providing dissipation analogous to the Caldeira-Leggett model. As our benchmark we use the spectral function from exact diagonalization with constant Ohmic damping. To extend the GSA for the open system, we solve the corresponding Heisenberg-Langevin equations in the Gaussian approximation. For the real-time FRG, we introduce a novel general prescription to construct causal regulators based on introducing scale-dependent fictitious heat baths. Our results explicitly demonstrate how the discrete transition lines of the quantum system gradually build up the broad continuous structures in the classical spectral function as temperature increases. At sufficiently high temperatures, classical, GSA, and exact-diagonalization results all coincide. The real-time FRG is able to reproduce the effective thermal mass, but it overestimates broadening and only qualitatively describes higher excitations, at the present order of our combined vertex and loop expansion. As temperature is lowered, the GSA follows the ensemble average of the exact solution better than the classical spectral function. In the low-temperature strong-coupling regime, the qualitative features of the exact result are best captured by our real-time FRG calculation, with quantitative improvements to be expected at higher truncation orders.
In this paper we develop and compare different real-time methods to calculate spectral functions. These are classical-statistical simulations, the Gaussian state approximation (GSA), and the functional renormalization group (FRG) formulated on the Keldysh closed-time path. Our test-bed system is the quartic anharmonic oscillator, a single self-interacting bosonic degree of freedom, coupled to an external heat bath providing dissipation analogous to the Caldeira-Leggett model. As our benchmark we use the spectral function from exact diagonalization with constant Ohmic damping. To extend the GSA for the open system, we solve the corresponding Heisenberg-Langevin equations in the Gaussian approximation. For the real-time FRG, we introduce a novel general prescription to construct causal regulators based on introducing scale-dependent fictitious heat baths. Our results explicitly demonstrate how the discrete transition lines of the quantum system gradually build up the broad continuous structures in the classical spectral function as temperature increases. At sufficiently high temperatures, classical, GSA and exact-diagonalization results all coincide. The real-time FRG is able to reproduce the effective thermal mass, but overestimates broadening and only qualitatively describes higher excitations, at the present order of our combined vertex and loop expansion. As temperature is lowered, the GSA follows the ensemble average of the exact solution better than the classical spectral function. In the low-temperature strong-coupling regime, the qualitative features of the exact result are best captured by our real-time FRG calculation, with quantitative improvements to be expected at higher truncation orders.
We present first calculations of critical spectral functions of the relaxational Models A, B, and C in the Halperin-Hohenberg classification using a real-time formulation of the functional renormalization group (FRG). We revisit the prediction by Son and Stephanov that the linear coupling of a conserved density to the non-conserved order parameter of Model A gives rise to critical Model-B dynamics. We formulate both 1-loop and 2-loop self-consistent expansion schemes in the 1PI vertex functions as truncations of the effective average action suitable for real-time applications, and analyze in detail how the different critical dynamics are properly incorporated in the framework of the FRG on the closed-time path. We present results for the corresponding critical spectral functions, extract the dynamic critical exponents for Models A, B, and C, in two and three spatial dimensions, respectively, and compare the resulting values with recent results from the literature.
A bstract We present first calculations of critical spectral functions of the relaxational Models A, B, and C in the Halperin-Hohenberg classification using a real-time formulation of the functional renormalization group (FRG). We revisit the prediction by Son and Stephanov that the linear coupling of a conserved density to the non-conserved order parameter of Model A gives rise to critical Model-B dynamics. We formulate both 1-loop and 2-loop self-consistent expansion schemes in the 1PI vertex functions as truncations of the effective average action suitable for real-time applications, and analyze in detail how the different critical dynamics are properly incorporated in the framework of the FRG on the closed-time path. We present results for the corresponding critical spectral functions, extract the dynamic critical exponents for Models A, B, and C, in two and three spatial dimensions, respectively, and compare the resulting values with recent results from the literature.
We provide a detailed exposition of our computational framework designed for the accurate calculation of real-frequency dynamical correlation functions of the single-impurity Anderson model in the regime of weak to intermediate coupling. Using quantum field theory within the Keldysh formalism to directly access the self-energy and dynamical susceptibilities in real frequencies, as detailed in our recent publication [Ge et al., Phys. Rev. B 109, 115128 (2024)], the primary computational challenge is the full three-dimensional real-frequency dependence of the four-point vertex. Our codebase provides a fully MPI+OpenMP parallelized implementation of the functional renormalization group (fRG) and the self-consistent parquet equations within the parquet approximation. It leverages vectorization to handle the additional complexity imposed by the Keldysh formalism, using optimized data structures and highly performant integration routines. Going beyond the results shown in the previous publication, the code includes functionality to perform fRG calculations in the multiloop framework, up to arbitrary loop order, including self-consistent self-energy iterations. Moreover, implementations of various regulators, such as hybridization, interaction, frequency, and temperature, are supplied.
We introduce an alternative approach for obtaining smooth finite-temperature spectral functions of quantum impurity models using the numerical renormalization group (NRG) technique. It is based on calculating first the Green's function on the imaginary-frequency axis, followed by an analytic continuation to the real-frequency axis using Pad\'e approximants. The arbitrariness in choosing a suitable kernel in the conventional broadening approach is thereby removed and, furthermore, we find that the Pad\'e method is able to resolve fine details in spectral functions with less artifacts on the scale of $\ensuremath{\omega}\ensuremath{\sim}T$. We discuss the convergence properties with respect to the NRG calculation parameters (discretization $\ensuremath{\Lambda}$, zzz-averaging, truncation cutoff) and the number of Matsubara points taken into account in the analytic continuation. We test the technique on the single-impurity Anderson model and the Hubbard model (within the dynamical mean-field theory). For the Anderson impurity model, we discuss the shape of the Kondo resonance and its temperature dependence. For the Hubbard model, we discuss the inner structure of the Hubbard bands in metallic and insulating solutions at half-filling, as well as in the doped Mott insulator. Based on these test cases, we conclude that the Pad\'e approximant approach provides improved results for spectral functions at low-frequency scales of $\ensuremath{\omega}\ensuremath{\lesssim}T$ and that it is capable of resolving sharp spectral features also at high frequencies.
Real-time dynamics of the O(4)O(4)O(4) scalar theory within the fRG approach
In this paper, the real-time dynamics of the O(4) O ( 4 ) scalar theory is studied within the functional renormalization group formulated on the Schwinger-Keldysh closed time path. The flow equations for the effective action and its n n -point correlation functions are derived in terms of the "classical'' and "quantum’’ fields, and a concise diagrammatic representation is presented. An analytic expression for the flow of the four-point vertex is obtained. Spectral functions with different values of temperature and momentum are obtained. Moreover, we calculate the dynamical critical exponent for the phase transition near the critical temperature in the O(4) O ( 4 ) scalar theory in 3+1 3 + 1 dimensions, and the value is found to be z\simeq 2.023 z ≃ 2.023 .