Three-scale finite element discretizations for quantum eigenvalue problems

被引:56
|
作者
Dai, Xiaoying [1 ,2 ]
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
关键词
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.
引用
收藏
页码:295 / 324
页数:30
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