A defect correction scheme for finite element eigenvalues with applications to quantum chemistry

doi:10.1137/040614013

	A defect correction scheme for finite element eigenvalues with applications to quantum chemistry
	Shen, LH; Zhou, AH
	2006
发表期刊	SIAM JOURNAL ON SCIENTIFIC COMPUTING
ISSN	1064-8275
卷号	28 期号:1 页码:321-338
摘要	To produce highly accurate approximations for self-adjoint elliptic eigenvalues, we propose a finite element defect correction scheme. Its efficiency is proven by theoretical and numerical evidence. Very satisfying applications in computational quantum chemistry are also presented.
关键词	defect correction eigenvalue finite element Hartree-Fock equation highly accurate quantum chemistry
DOI	10.1137/040614013
语种	英语
WOS研究方向	Mathematics
WOS类目	Mathematics, Applied
WOS记录号	WOS:000236806000015
出版者	SIAM PUBLICATIONS
引用统计
文献类型	期刊论文
条目标识符	http://ir.amss.ac.cn/handle/2S8OKBNM/3685
专题	计算数学与科学工程计算研究所
通讯作者	Shen, LH
作者单位	Chinese Acad Sci, Acad Math & Syst Sci, Inst Computat Math & Sci Engn Comp, State Key Lab Sci & Engn Comp,LSEC, Beijing 100080, Peoples R China
推荐引用方式 GB/T 7714	Shen, LH,Zhou, AH. A defect correction scheme for finite element eigenvalues with applications to quantum chemistry[J]. SIAM JOURNAL ON SCIENTIFIC COMPUTING,2006,28(1):321-338.
APA	Shen, LH,&Zhou, AH.(2006).A defect correction scheme for finite element eigenvalues with applications to quantum chemistry.SIAM JOURNAL ON SCIENTIFIC COMPUTING,28(1),321-338.
MLA	Shen, LH,et al."A defect correction scheme for finite element eigenvalues with applications to quantum chemistry".SIAM JOURNAL ON SCIENTIFIC COMPUTING 28.1(2006):321-338.