iVI: An Iterative Vector Interaction Method for Large Eigenvalue   Problems

doi:10.1002/jcc.24907

CORC > 北京大学 > 化学与分子工程学院

	iVI: An Iterative Vector Interaction Method for Large Eigenvalue Problems
	Huang, Chao ; Liu, Wenjian ; Xiao, Yunlong ; Hoffmann, Mark R.
刊名	JOURNAL OF COMPUTATIONAL CHEMISTRY
	2017
关键词	large matrix eigenpair static-dynamic-static-iterative vector interaction perturbative selection made iteratively HARMONIC RESIDUAL METHOD DAVIDSON METHOD LINEAR-SYSTEMS LARGE MATRICES WAVE-FUNCTIONS EIGENVECTORS PERTURBATION ALGORITHMS LOWEST
DOI	10.1002/jcc.24907
英文摘要	Based on the generic static-dynamic-static framework for strongly coupled basis vectors (Liu and Hoffman, Theor. Chem. Acc. 2014, 133, 1481), an iterative Vector Interaction (iVI) method is proposed for computing multiple exterior or interior eigenpairs of large symmetric/Hermitian matrices. Although it works with a fixed-dimensional search subspace, iVI can converge quickly and monotonically from above to the exact exterior/interior roots. The efficacy of iVI is demonstrated by taking both mathematical and physical matrices as examples. (c) 2017 Wiley Periodicals, Inc.; Ministry of Science and Technology of China [2017YFB0203402]; National Natural Science Foundation of China [21290192, 21473002]; SCI(E); ARTICLE; 29; 2481-2499; 38
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/470393]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	Huang, Chao,Liu, Wenjian,Xiao, Yunlong,et al. iVI: An Iterative Vector Interaction Method for Large Eigenvalue Problems[J]. JOURNAL OF COMPUTATIONAL CHEMISTRY,2017.
APA	Huang, Chao,Liu, Wenjian,Xiao, Yunlong,&Hoffmann, Mark R..(2017).iVI: An Iterative Vector Interaction Method for Large Eigenvalue Problems.JOURNAL OF COMPUTATIONAL CHEMISTRY.
MLA	Huang, Chao,et al."iVI: An Iterative Vector Interaction Method for Large Eigenvalue Problems".JOURNAL OF COMPUTATIONAL CHEMISTRY (2017).