On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation

doi:10.1016/j.jcp.2022.111674

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	On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation
	Hu, Guanghui 1,2; Xie, Hehu 3,4; Xu, Fei 5
	2023
发表期刊	JOURNAL OF COMPUTATIONAL PHYSICS
ISSN	0021-9991
卷号	472 页码:22
摘要	Based on the numerical method proposed in Hu et al. (2018) [22] for Kohn-Sham equation, further improvement on the efficiency is obtained in this paper by i). designing a numerical method with the strategy of separately handling the nonlinear Hartree potential and exchange-correlation potential, and ii). parallelizing the algorithm in an eigenpairwise approach. The feasibility of two approaches is analyzed in detail, and the new algorithm is described completely. Compared with previous results, a significant improvement of numerical efficiency can be observed from plenty of numerical experiments, which make the new method more suitable for the practical problems.(c) 2022 Elsevier Inc. All rights reserved.
关键词	Kohn-Sham equation Multilevel correction method Finite element method Separately handing nonlinear terms Parallel computing
DOI	10.1016/j.jcp.2022.111674
收录类别	SCI
语种	英语
资助项目	National Key R&D Program of China ; National Natural Science Foundation of China ; FDCT of Macao SAR ; MYRG of University of Macau ; Department of Science and Technology of Guangdong Province ; National Center for Mathematics and Interdisciplinary Science, CAS ; [2019YFA0709600] ; [2019YFA0709601] ; [11801021] ; [11922120] ; [11871489] ; [11771434] ; [0082/2020/A2] ; [MYRG2020-00265-FST] ; [2020B1212030001]
WOS研究方向	Computer Science ; Physics
WOS类目	Computer Science, Interdisciplinary Applications ; Physics, Mathematical
WOS记录号	WOS:000879217600009
出版者	ACADEMIC PRESS INC ELSEVIER SCIENCE
引用统计
文献类型	期刊论文
条目标识符	http://ir.amss.ac.cn/handle/2S8OKBNM/60705
专题	中国科学院数学与系统科学研究院
通讯作者	Xu, Fei
作者单位	1.Univ Macau, Fac Sci & Technol, Dept Math & Guangdong Hong Kong Macao Joint Lab Da, Macau, Peoples R China 2.Zhuhai UM Sci & Technol Res Inst, Zhuhai, Guangdong, Peoples R China 3.Chinese Acad Sci, Acad Math & Syst Sci, LSEC, ICMSEC, Beijing 100190, Peoples R China 4.Univ Chinese Acad Sci, Sch Math Sci, Beijing 100049, Peoples R China 5.Beijing Univ Technol, Fac Sci, Beijing 100124, Peoples R China
推荐引用方式 GB/T 7714	Hu, Guanghui,Xie, Hehu,Xu, Fei. On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation[J]. JOURNAL OF COMPUTATIONAL PHYSICS,2023,472:22.
APA	Hu, Guanghui,Xie, Hehu,&Xu, Fei.(2023).On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation.JOURNAL OF COMPUTATIONAL PHYSICS,472,22.
MLA	Hu, Guanghui,et al."On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation".JOURNAL OF COMPUTATIONAL PHYSICS 472(2023):22.