脱离平衡的多粒子系统波动的经典和量子理论

IF 1.3 4区 物理与天体物理 Q3 PHYSICS, FLUIDS & PLASMAS
E. Schroedter, M. Bonitz
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引用次数: 0

摘要

失去平衡的相关经典和量子多粒子系统在许多领域,包括稠密等离子体、相关固体和超冷原子,都引起了高度关注。对这些系统进行精确的理论描述,无论在概念上还是在计算资源方面都具有挑战性。对于经典系统,原则上可以通过分子动力学进行精确模拟,但量子系统却并非如此。另外,我们还可以使用多粒子方法,如流体力学、动力学理论或非平衡格林函数(NEGF)。然而,非平衡格林函数的 CPU 时间与时间步数呈非常不利的立方缩放关系。另一种方案是 G1-G2 方案[N. Schlünzen 等人,Phys. Rev. Lett. 124, 076601 (2020)],它允许 NEGF 模拟时间线性缩放,但代价是消耗大量内存。原因是需要存储双粒子相关函数。这个问题可以通过用波动重新表述动力学方程来克服--Yu.L. Klimontovich [JETP 33, 982 (1957)]针对经典系统开发了这种方法。在此,我们概述了他的观点,并将其扩展到量子系统。特别是,我们证明了这种量子波动方法可以重现非平衡 GW 近似[E. Schroedter 等人,Cond. Matt. Phys. 25, 23401 (2022)],有望以较低的计算成本获得较高的精度,而这正是源于有效的半经典随机取样程序。我们还演示了如何将该方法扩展到双时交换相关函数和密度响应特性。[E. Schroedter 等人,Phys. Rev. B 108, 205109 (2023)]。当应用具有哈特里-福克传播者的广义卡达诺夫-贝姆方差时,结果等同于两时交换相关函数的贝特-萨尔佩特方程[E. Schroedter 和 M. Bonitz,phys. stat. sol. (b) 2024, 2300564]。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Classical and quantum theory of fluctuations for many-particle systems out of equilibrium

Classical and quantum theory of fluctuations for many-particle systems out of equilibrium

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. 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 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 et al., Cond. Matt. Phys. 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 et al., Phys. Rev. B 108, 205109 (2023)]. The results are equivalent to the Bethe–Salpeter equation for the two-time exchange-correlation function when the generalized Kadanoff-Baym ansatz with Hartree-Fock propagators is applied [E. Schroedter and M. Bonitz, phys. stat. sol. (b) 2024, 2300564].

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来源期刊
Contributions to Plasma Physics
Contributions to Plasma Physics 物理-物理:流体与等离子体
CiteScore
2.90
自引率
12.50%
发文量
110
审稿时长
4-8 weeks
期刊介绍: Aims and Scope of Contributions to Plasma Physics: Basic physics of low-temperature plasmas; Strongly correlated non-ideal plasmas; Dusty Plasmas; Plasma discharges - microplasmas, reactive, and atmospheric pressure plasmas; Plasma diagnostics; Plasma-surface interaction; Plasma technology; Plasma medicine.
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