Parallel Mesh Refinement of Higher Order Finite Elements for Electronic Structure Calculations

	Parallel Mesh Refinement of Higher Order Finite Elements for Electronic Structure Calculations
	Zhang, Dier 1; Zhou, Aihui2 ; Gong, Xin-Gao 1
	2008-11-01
发表期刊	COMMUNICATIONS IN COMPUTATIONAL PHYSICS
ISSN	1815-2406
卷号	4 期号:5 页码:1086-1105
摘要	The finite element method is a promising method for electronic structure calculations. In this paper, a new parallel mesh refinement method for electronic structure calculations is presented. Some properties of the method are investigated to make it more efficient and more convenient for implementation. Several practical issues such as distributed memory parallel computation, less tetrahedra prototypes, and the assignment of the mesh elements carried out independently in each sub-domain will be discussed. The numerical experiments on the periodic system, cluster and nano-tube are presented to demonstrate the effectiveness of the proposed method.
关键词	Tetrahedral mesh adaptive mesh refinement parallel algorithms electronic structure calculations
语种	英语
WOS研究方向	Physics
WOS类目	Physics, Mathematical
WOS记录号	WOS:000261212900009
出版者	GLOBAL SCIENCE PRESS
引用统计
文献类型	期刊论文
条目标识符	http://ir.amss.ac.cn/handle/2S8OKBNM/5786
专题	计算数学与科学工程计算研究所
通讯作者	Zhang, Dier
作者单位	1.Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China 2.Chinese Acad Sci, Acad Math & Syst Sci, Inst Computat Math & Sci Engn, LSEC, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Zhang, Dier,Zhou, Aihui,Gong, Xin-Gao. Parallel Mesh Refinement of Higher Order Finite Elements for Electronic Structure Calculations[J]. COMMUNICATIONS IN COMPUTATIONAL PHYSICS,2008,4(5):1086-1105.
APA	Zhang, Dier,Zhou, Aihui,&Gong, Xin-Gao.(2008).Parallel Mesh Refinement of Higher Order Finite Elements for Electronic Structure Calculations.COMMUNICATIONS IN COMPUTATIONAL PHYSICS,4(5),1086-1105.
MLA	Zhang, Dier,et al."Parallel Mesh Refinement of Higher Order Finite Elements for Electronic Structure Calculations".COMMUNICATIONS IN COMPUTATIONAL PHYSICS 4.5(2008):1086-1105.