Layer-Splitting Methods for Time-Dependent Schrodinger Equations of Incommensurate Systems

doi:10.4208/cicp.OA-2021-0070

	Layer-Splitting Methods for Time-Dependent Schrodinger Equations of Incommensurate Systems
	Wang, Ting 4; Chen, Huajie 4; Zhou, Aihui 1,5; Zhou, Yuzhi 2,3
刊名	COMMUNICATIONS IN COMPUTATIONAL PHYSICS
	2021-11-01
卷号	30 期号:5 页码:1474-1498
关键词	Incommensurate system time-dependent Schrodinger equation time stepping scheme
ISSN号	1815-2406
DOI	10.4208/cicp.OA-2021-0070
英文摘要	This work considers numerical methods for the time-dependent Schrodinger equation of incommensurate systems. By using a plane wave method for spatial discretization, the incommensurate problem is lifted to a higher dimension that results in semidiscrete differential equations with extremely demanding computational cost. We propose several fully discrete time stepping schemes based on the idea of "layer splitting", which decompose the semidiscrete problem into sub-problems that each corresponds to one of the periodic layers. Then these schemes handle only some periodic systems in the original lower dimension at each time step, which reduces the computational cost significantly and is natural to involve stochastic methods and parallel computing. Both theoretical analysis and numerical experiments are provided to support the reliability and efficiency of the algorithms.
资助项目	National Key R & D Program of China[2019YFA0709600] ; National Key R & D Program of China[2019YFA0709601] ; Natural Science Foundation of China[11971066] ; Key Research Program of Frontier Sciences of the Chinese Academy of Sciences[QYZDJ-SSW-SYS010] ; National Science Foundation of China[11671389] ; National Science Foundation of China[12004047]
WOS研究方向	Physics
语种	英语
出版者	GLOBAL SCIENCE PRESS
WOS记录号	WOS:000711870700009
内容类型	期刊论文
源URL	[http://ir.amss.ac.cn/handle/2S8OKBNM/59456]
专题	中国科学院数学与系统科学研究院
通讯作者	Chen, Huajie
作者单位	1.Chinese Acad Sci, Acad Math & Syst Sci, Inst Computat Math & Sci Engn Comp, LSEC, Beijing 100190, Peoples R China 2.Inst Appl Phys & Computat Math, Beijing 100094, Peoples R China 3.CAEP Software Ctr High Performance Numer Simulat, Beijing 100088, Peoples R China 4.Beijing Normal Univ, Sch Math Sci, Beijing 100875, Peoples R China 5.Univ Chinese Acad Sci, Sch Math Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Wang, Ting,Chen, Huajie,Zhou, Aihui,et al. Layer-Splitting Methods for Time-Dependent Schrodinger Equations of Incommensurate Systems[J]. COMMUNICATIONS IN COMPUTATIONAL PHYSICS,2021,30(5):1474-1498.
APA	Wang, Ting,Chen, Huajie,Zhou, Aihui,&Zhou, Yuzhi.(2021).Layer-Splitting Methods for Time-Dependent Schrodinger Equations of Incommensurate Systems.COMMUNICATIONS IN COMPUTATIONAL PHYSICS,30(5),1474-1498.
MLA	Wang, Ting,et al."Layer-Splitting Methods for Time-Dependent Schrodinger Equations of Incommensurate Systems".COMMUNICATIONS IN COMPUTATIONAL PHYSICS 30.5(2021):1474-1498.