In the past few years, the exponential expansion analysis of time autocorrelation functions has provided profound insight into the leading microscopic processes driving the atomic-scale dynamics and has made it possible to highlight the presence and the role of various relaxation channels through which the fundamental correlation functions decay with time. Here we apply this method to the determination of the full time dependence of a correlation function c(t) in a quantum system at nonzero temperature, by making explicit its relationship with its Kubo transform c_{K}(t), which in some cases can be approximately computed with the presently available quantum simulation techniques. We obtain an exact expression for c(t) in terms of the exponential modes that describe the time behavior of c_{K}(t). The relative importance of the various modes in determining the overall shape of c(t) can then be studied in detail. This work extends to the full time domain the results of a previous paper [Guarini et al., Phys. Rev. Lett. 123, 135301 (2019)PRLTAO0031-900710.1103/PhysRevLett.123.135301], in which we employed the same method to calculate the zero time value of the velocity autocorrelation function, to obtain a microscopic description of the quantum mean kinetic energy in a fluid. In particular, we show that the decay constants and the frequencies of the dominant microscopic modes of c(t) are the same as those of c_{K}(t), but the dynamics of the quantum system also contains an additional term decaying on a time scale determined solely by temperature of the system.
In the past few years, the exponential expansion analysis of time autocorrelation functions has provided profound insight into the leading microscopic processes driving the atomic-scale dynamics and has made it possible to highlight the presence and the role of various relaxation channels through which the fundamental correlation functions decay with time. Here we apply this method to the determination of the full time dependence of a correlation function c(t) in a quantum system at nonzero temperature, by making explicit its relationship with its Kubo transform c_{K}(t), which in some cases can be approximately computed with the presently available quantum simulation techniques. We obtain an exact expression for c(t) in terms of the exponential modes that describe the time behavior of c_{K}(t). The relative importance of the various modes in determining the overall shape of c(t) can then be studied in detail. This work extends to the full time domain the results of a previous paper [Guarini et al., Phys. Rev. Lett. 123, 135301 (2019)PRLTAO0031-900710.1103/PhysRevLett.123.135301], in which we employed the same method to calculate the zero time value of the velocity autocorrelation function, to obtain a microscopic description of the quantum mean kinetic energy in a fluid. In particular, we show that the decay constants and the frequencies of the dominant microscopic modes of c(t) are the same as those of c_{K}(t), but the dynamics of the quantum system also contains an additional term decaying on a time scale determined solely by temperature of the system.
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 τ_{1}=ℏ/(2πk_{B}T), where ℏ and k_{B} 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 τ_{1}, 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.
Based on the general theory of the non-equilibrium statistical mechanics, we have discussed the influences of waves on the relaxation processes in macroscopic systems, especially. about the non-exponential asymptotic behaviour of the correlation functions.Because, how to select the representation is important for discussing the dissipative processes in non-equilibrium statistical mechanics, it is desirable to start from the elementary excitation representation. Using the Basic idea of C* algebra theory, we have developed a method for operator expansion, and employed it to express the flow operators in second quantized elementary excitation representation. Taking the residual interaction between the elementary excitations as perturbation in the calculation of the resolvent of the Liouville operator, and using the method of projection operator, a general expression of the non-exponential decaying part of the correlation functions have been obtained.By analysing the procedure of treating the elementary excitation spectrum, we devided the residual interaction into two parts. For pure dissipative mode, taking into account the linear interaction, the main terms of the non-exponential decaying part(t(-d/2) term) were obtained. Detailed analysis shows that, the non-linear interaction (mode-mode coupling) is very small, and leads to a relatively faster decaying process (t(-d) or so), hence it can be neglected.This article emphasizes that, for the wave processes, the local fluctuation correlation, the particle self-correlation and the transport processes are different in nature. Their relative magnitudes (relative to the corresponding quasi-particle parts) may also be quite different.With these general results, we have analysed briefly the relaxation processes in liquid, and made some discussion about the so called mode-mode coupling theory.
We review various theoretical methods that have been used in recent years to calculate dynamical correlation functions of many-body systems. Time-dependent correlation functions and their associated frequency spectral densities are the quantities of interest, for they play a central role in both the theoretical and experimental understanding of dynamic properties. In particular, dynamic correlation functions appear in the fluctuation-dissipation theorem, where the response of a many-body system to an external perturbation is given in terms of the relaxation function of the unperturbed system, provided the disturbance is small. The calculation of the relaxation function is rather difficult in most cases of interest, except for a few examples where exact analytic expressions are allowed. For most of systems of interest approximation schemes must be used. The method of recurrence relation has, at its foundation, the solution of Heisenberg equation of motion of an operator in a many-body interacting system. Insights have been gained from theorems that were discovered with that method. For instance, the absence of pure exponential behavior for the relaxation functions of any Hamiltonian system. The method of recurrence relations was used in quantum systems such as dense electron gas, transverse Ising model, Heisenberg model, XY model, Heisenberg model with Dzyaloshinskii-Moriya interactions, as well as classical harmonic oscillator chains. Effects of disorder were considered in some of those systems. In the cases where analytical solutions were not feasible, approximation schemes were used, but are highly model-dependent. Another important approach is the numericallly exact diagonalizaton method. It is used in finite-sized systems, which sometimes provides very reliable information of the dynamics at the infinite-size limit. In this work, we discuss the most relevant applications of the method of recurrence relations and numerical calculations based on exact diagonalizations. The method of recurrence relations relies on the solution to the coefficients of a continued fraction for the Laplace transformed relaxation function. The calculation of those coefficients becomes very involved and, only a few cases offer exact solution. We shall concentrate our efforts on the cases where extrapolation schemes must be used to obtain solutions for long times (or low frequency) regimes. We also cover numerical work based on the exact diagonalization of finite sized systems. The numerical work provides some thermodynamically exact results and identifies some difficulties intrinsic to the method of recurrence relations.
We review various theoretical methods that have been used in recent years to calculate dynamical correlation functions of many-body systems. Time-dependent correlation functions and their associated frequency spectral densities are the quantities of interest, for they play a central role in both the theoretical and experimental understanding of dynamic properties. The calculation of the relaxation function is rather difficult in most cases of interest, except for a few examples where exact analytic expressions are allowed. For most of systems of interest approximation schemes must be used. The method of recurrence relation has, at its foundation, the solution of Heisenberg equation of motion of an operator in a many-body interacting system. Insights have been gained from theorems that were discovered with that method. For instance, the absence of pure exponential behavior for the relaxation functions of any Hamiltonian system. The method of recurrence relations was used in quantum systems such as dense electron gas, transverse Ising model, Heisenberg model, XY model, Heisenberg model with Dzyaloshinskii-Moriya interactions, as well as classical harmonic oscillator chains. Effects of disorder were considered in some of those systems. In the cases where analytical solutions were not feasible, approximation schemes were used, but are highly model-dependent. Another important approach is the numerically exact diagonalization method. It is used in finite-sized systems, which sometimes provides very reliable information of the dynamics at the infinite-size limit. In this work, we discuss the most relevant applications of the method of recurrence relations and numerical calculations based on exact diagonalizations.
Interaction of a small system S with a large reservoir R amounts to thermal relaxation of the reduced system density operator ρS(t). The presence of the reservoir enters the equation of motion for ρS(t) through the reservoir correlation functions fkl(τ) (defined in the text), which decay to zero for τ→∞ on a time scale τc. Commonly, this τc is much smaller than the inverse relaxation constants for the time evolution of ρS(t). Then a series of approximations can be made, which lead to a Markovian equation of motion for ρS(t). In this paper the assumption of a small reservoir correlation time is removed. The equation of motion for ρS(t) is solved, and it appears that the memory effect, due to τc≂/0, can be incorporated in a frequency dependence of the relaxation operator Γ̃(ω). Subsequently, (unequal-time) quantum correlation functions of two system operators are considered, where explicit expressions for (the Laplace transform of) the correlation functions are obtained. They involve again the relaxation operator Γ̃(ω), which accounts for the time regression. Additionally it is found that an initial-correlation operator Υ̃(ω) arises, as a consequence of the fact that the equal-time correlation functions do not factorize as ρS(t) times the reservoir density operator. It is pointed out that the frequency dependence of Γ̃(ω) and the occurrence of a nonzero T̃(ω) both arise as a result of τc≂/0, and should therefore be treated on an equal footing. Explicit evaluation of Γ̃(ω) and Υ̃(ω) shows that their matrix elements can be expressed entirely in f̃kl(ω), just as in the Markov approximation. Hence no essential complications appear if one should go beyond the limits of a small reservoir correlation time τc.
The memory kernel of the kinetic equation for the time correlation function of a quantum fluid is determined both in third order of the interaction strength and in the low-density approximation. The results are obtained with the help of a diagram representation for the kernel. The connexion with the kinetic theory for classical fluids is established. The properties of a nonequilibrium fluid may be studied with the help of the kinetic theory of time correlation functions. These functions are determined by specifying the memory kernel in the kinetic equation that governs their time evolution. For classical fluids a suitable formalism that permits the approximate evaluation of this kernel has been developed several years ago (for a review see ref. 1). The generalization of these methods to the case of quantum fluids was considered in a few recent papers2f3). In particular, the memory kernel was established for a normal quantum fluid in the weakcoupling approximation. In the long-time and large-distance limit this kernel reduces to that of the linearized Uehling-Uhlenbeck equation4) in which the scattering amplitude is replaced by its first Born approximation. The purpose of the present paper is to extend the available results by employing higher-order perturbation theory for the evaluation of the memory kernel. An essential ingredient of the treatment will consist in the introduction of four-point diagrams that represent the various contributions to the kernel. With the use of this diagram representation we shall derive the memory kernel in third order of the interaction strength. In this order the kernel still has the same general form as the weak-coupling kernel, but with shifted energies and a generalized transition probability. Its relation to the kernel of the linearized Bogoliubov-Gurov’) equation will be established. An alternative approach to the approximate evaluation of the memory kernel makes use of an expansion in the density. The low-density limit of the