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Universal Matsubara time decay of quantum autocorrelations for Boltzmann particles

Fabrizio Barocchi and Eleonora Guarini

  • Dipartimento di Fisica e Astronomia, Università degli Studi di Firenze, via G. Sansone 1, I-50019 Sesto Fiorentino, Italy

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Phys. Rev. E 106, 044128 – Published 20 October, 2022

DOI: https://doi.org/10.1103/PhysRevE.106.044128

Abstract

The general properties of time dependent autocorrelations in many-body quantum systems are here analyzed at thermodynamic equilibrium in the Boltzmann canonical ensemble at temperature T, by means of the exponential expansion theory (EET). It is shown that the Kubo-Martin-Schwinger (KMS) symmetry applied to the exponential expansion of the correlation leads to the existence of two different sets of decay modes (channels) here indicated as “Matsubara modes” and “system modes,” respectively. The Matsubara modes are a series of pure decay channels with time constants representing a direct action of the thermostat upon the correlation, with a characteristic principal decay time τ1=ℏ/(2πkBT), where ℏ and kB are the Planck and Boltzmann constants, and T is the temperature. Moreover, the KMS condition implies that the amplitudes pertaining to the even and odd contribution of the system modes to the quantum correlation are not independent. These two properties are quantum mechanical in nature and “universal,” in the sense that they are present for any autocorrelation of a quantum system at equilibrium at a temperature T. The Matsubara modes' contribution to the time behavior of a quantum correlation is limited to times of the order of τ1, which however can be comparable with some of the characteristic decay times of the system modes. In addition, since the parameters representing the overall time behavior of the quantum correlation can be given in terms of the parameters of its Kubo transform, the EET representation turns out to be useful in calculations exploiting the outputs of some widespread quantum simulation methods. A discussion of the properties of these relations is described in detail with numerical examples. The case of the velocity autocorrelation function of para hydrogen at low temperature is also reported as a final example for a real system.

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Phys. Rev. E 106, 044128– Published 20 October, 2022
  • Received 21 January 2022
  • Accepted 20 September 2022
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