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FINITE VOLUME DISCRETIZATIONS FOR EIGENVALUE PROBLEMS WITH APPLICATIONS TO ELECTRONIC STRUCTURE CALCULATIONS

文献类型：期刊论文

作者Dai, Xiaoying1; Gong, Xingao2; Yang, Zhang1; Zhang, Dier2; Zhou, Aihui1
刊名MULTISCALE MODELING & SIMULATION
出版日期2011
卷号9期号:1页码:208-240
关键词eigenvalue electronic structure finite element finite volume high order symmetric
ISSN号1540-3459
DOI10.1137/090757046
英文摘要To introduce the finite volume method to electronic structure calculations, we study a symmetric finite volume scheme for a class of linear eigenvalue problems and present a priori error analysis of the finite volume eigenpair approximations. Based on finite volume-finite element coupled discretizations, in particular, we design several higher order approximate schemes. We also demonstrate a series of numerical experiments in electronic structure calculations that illustrate the effectiveness of our finite volume discretization approaches.
资助项目National Science Foundation of China[10425105] ; National Science Foundation of China[10871198] ; National Basic Research Program of China[2005CB321704] ; National High Technology Research and Development Program of China[2009AA01A134]
WOS研究方向Mathematics ; Physics
语种英语
WOS记录号WOS:000288988900008
出版者SIAM PUBLICATIONS
源URL[http://ir.amss.ac.cn/handle/2S8OKBNM/12990]  
专题计算数学与科学工程计算研究所
通讯作者Dai, Xiaoying
作者单位1.Chinese Acad Sci, State Key Lab Sci & Engn Comp, Inst Computat Math & Sci Engn Comp, Acad Math & Syst Sci, Beijing 100190, Peoples R China
2.Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China
推荐引用方式
GB/T 7714		 Dai, Xiaoying,Gong, Xingao,Yang, Zhang,et al. FINITE VOLUME DISCRETIZATIONS FOR EIGENVALUE PROBLEMS WITH APPLICATIONS TO ELECTRONIC STRUCTURE CALCULATIONS[J]. MULTISCALE MODELING & SIMULATION,2011,9(1):208-240.
APA Dai, Xiaoying,Gong, Xingao,Yang, Zhang,Zhang, Dier,&Zhou, Aihui.(2011).FINITE VOLUME DISCRETIZATIONS FOR EIGENVALUE PROBLEMS WITH APPLICATIONS TO ELECTRONIC STRUCTURE CALCULATIONS.MULTISCALE MODELING & SIMULATION,9(1),208-240.
MLA Dai, Xiaoying,et al."FINITE VOLUME DISCRETIZATIONS FOR EIGENVALUE PROBLEMS WITH APPLICATIONS TO ELECTRONIC STRUCTURE CALCULATIONS".MULTISCALE MODELING & SIMULATION 9.1(2011):208-240.

入库方式： OAI收割

来源：数学与系统科学研究院

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