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

来源：

SIAM JOURNAL ON NUMERICAL ANALYSIS | 2008年 / 46卷 / 01期

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

页码：295 / 324

页数：30

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