Classical and Quantum Theory of Fluctuations for Many-Particle Systems out of Equilibrium

Abstract

Correlated classical and quantum many-particle systems out of equilibrium are of high interest in many fields, including dense plasmas, correlated solids, and ultracold atoms. Accurate theoretical description of these systems is challenging both, conceptionally and with respect to computational resources. While for classical systems, in principle, exact simulations are possible via molecular dynamics, this is not the case for quantum systems. Alternatively, one can use many-particle approaches such as hydrodynamics, kinetic theory or nonequilibrium Green functions (NEGF). However, NEGF exhibit a very unfavorable cubic scaling of the CPU time with the number of time steps. An alternative is the G1--G2 scheme [N. Schlünzen et al., Phys. Rev. Lett. \textbf{124}, 076601 (2020)] which allows for NEGF simulations with time linear scaling, however, at the cost of large memory consumption. The reason is the need to store the two-particle correlation function. This problem can be overcome for a number of approximations by reformulating the kinetic equations in terms of fluctuations -- an approach that was developed, for classical systems, by Yu.L. Klimontovich [JETP \textbf{33}, 982 (1957)]. Here we present an overview of his ideas and extend them to quantum systems. In particular, we demonstrate that this quantum fluctuations approach can reproduce the nonequilibrium $GW$ approximation [E. Schroedter \textit{et al.}, Cond. Matt. Phys. \textbf{25}, 23401 (2022)] promising high accuracy at low computational cost which arises from an effective semiclassical stochastic sampling procedure. We also demonstrate how to extend the approach to the two-time exchange-correlation functions and the density response properties. [E. Schroedter \textit{et al.}, Phys. Rev. B \textbf{108}, 205109 (2023)].

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Cited by in corpus (3)

• First principles simulations of dense hydrogen
• Accelerating Nonequilibrium Green functions simulations: the G1-G2 scheme and beyond
• Yuri Lvovich Klimontovich, his theory of fluctuations and its impact on the kinetic theory