Analyzing and predicting non-equilibrium many-body dynamics via dynamic mode decomposition

被引:4
|
作者
Yin, Jia [1 ]
Chan, Yang-hao [2 ]
da Jornada, Felipe H. [3 ]
Qiu, Diana Y. [4 ]
Yang, Chao [1 ]
Louie, Steven G. [5 ,6 ]
机构
[1] Lawrence Berkeley Natl Lab, Appl Math & Computat Res Div, Berkeley, CA 94720 USA
[2] Acad Sinica, Inst Atom & Mol Sci, Taipei 10617, Taiwan
[3] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA
[4] Yale Univ, Sch Engn & Appl Sci, New Haven, CT 06520 USA
[5] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA
[6] Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA
关键词
Dynamic mode decomposition; Koopman operator; Non-equilibrium quantum many-body; dynamics; Kadanoff-Baym equations; SPECTRAL-ANALYSIS; SYSTEMS;
D O I
10.1016/j.jcp.2023.111909
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
Simulating the dynamics of a nonequilibrium quantum many-body system by computing the two-time Green's function associated with such a system is computationally challeng-ing. However, we are often interested in the time-diagonal of such a Green's function or time-dependent physical observables that are functions of one time. In this paper, we discuss the possibility of using dynamic mode decomposition (DMD), a data-driven model order reduction technique, to characterize one-time observables associated with the nonequilibrium dynamics using snapshots computed within a small time window. The DMD method allows us to efficiently predict long time dynamics from a limited number of trajectory samples. We demonstrate the effectiveness of DMD on a model two-band system. We show that, in the equilibrium limit, the DMD analysis yields results that are consis-tent with those produced from a linear response analysis. In the nonequilibrium case, the extrapolated dynamics produced by DMD is more accurate than a special Fourier extrapo-lation scheme presented in this paper. We point out a potential pitfall of the standard DMD method caused by insufficient spatial/momentum resolution of the discretization scheme. We show how this problem can be overcome by using a variant of the DMD method known as higher order DMD.(c) 2023 The Author(s). Published by Elsevier Inc. This is an open access article under the CC BY license (http://creativecommons .org /licenses /by /4 .0/).
引用
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页数:19
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