Three-scale finite element discretizations for quantum eigenvalue problems
被引:56
|
作者:
Dai, Xiaoying
论文数: 0引用数: 0
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机构:
Chinese Acad Sci, Inst Computat Math & Sci Engn Comp, Acad Math & Syst Sci, LSEC, Beijing 100080, Peoples R China
Chinese Acad Sci, Grad Univ, Beijing 100080, Peoples R ChinaChinese Acad Sci, Inst Computat Math & Sci Engn Comp, Acad Math & Syst Sci, LSEC, Beijing 100080, Peoples R China
Dai, Xiaoying
[1
,2
]
Zhou, Aihui
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机构:
Chinese Acad Sci, Inst Computat Math & Sci Engn Comp, Acad Math & Syst Sci, LSEC, Beijing 100080, Peoples R ChinaChinese Acad Sci, Inst Computat Math & Sci Engn Comp, Acad Math & Syst Sci, LSEC, Beijing 100080, Peoples R China
Zhou, Aihui
[1
]
机构:
[1] Chinese Acad Sci, Inst Computat Math & Sci Engn Comp, Acad Math & Syst Sci, LSEC, Beijing 100080, Peoples R China
[2] Chinese Acad Sci, Grad Univ, Beijing 100080, Peoples R China
eigenvalue;
finite element;
ground state energy;
local computation;
three-scale;
quantum chemistry;
D O I:
10.1137/06067780X
中图分类号:
O29 [应用数学];
学科分类号:
070104 ;
摘要:
Based on globally and locally coupled discretizations, some three-scale finite element schemes are proposed in this paper for a class of quantum eigenvalue problems. It is shown that the solution of a quantum eigenvalue problem on a fine grid may be reduced to the solution of an eigenvalue problem on a relatively coarse grid, and the solutions of linear algebraic systems on a globally mesoscopic grid and the locally fine grid, and the resulting solution is still very satisfactory.
机构:
Center for Computational Mathematics and Applications, Department of Mathematics, Pennsylvania State University, University ParkCenter for Computational Mathematics and Applications, Department of Mathematics, Pennsylvania State University, University Park
Xu J.
Zhou A.
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机构:
Institute of Computational Mathematics and Scientific/Engineering Computing, Academy of Mathematics and System Sciences, Chinese Academy of SciencesCenter for Computational Mathematics and Applications, Department of Mathematics, Pennsylvania State University, University Park
机构:
Department of Computational Mathematics, Institute of Computational Mathematics and Information Technologies, Kazan (Volga Region) Federal University, KazanDepartment of Computational Mathematics, Institute of Computational Mathematics and Information Technologies, Kazan (Volga Region) Federal University, Kazan
机构:
Chinese Acad Sci, Acad Math & Syst Sci, ICMSEC, LSEC, Beijing 100080, Peoples R ChinaChinese Acad Sci, Acad Math & Syst Sci, ICMSEC, LSEC, Beijing 100080, Peoples R China
Liu, Fang
Zhou, Aihui
论文数: 0引用数: 0
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机构:
Chinese Acad Sci, Acad Math & Syst Sci, ICMSEC, LSEC, Beijing 100080, Peoples R ChinaChinese Acad Sci, Acad Math & Syst Sci, ICMSEC, LSEC, Beijing 100080, Peoples R China