Finite element approximations for Schrodinger equations with applications to electronic structure computations

被引：0

作者：

Gong, Xin-Gao ^{[1
]}

Shen, Lihua ^{[2
]}

Zhang, Dier ^{[1
]}

Zhou, Aihui ^{[3
]}

机构：

[1] Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China

[2] Capital Normal Univ, Dept Math, Inst Math & Interdisciplinary Sci, Beijing 100037, Peoples R China

[3] Chinese Acad Sci, Acad Math & Syst Sci, ICMSEC, LSEC, Beijing 100190, Peoples R China

来源：

JOURNAL OF COMPUTATIONAL MATHEMATICS | 2008年 / 26卷 / 03期

关键词：

error analysis; finite element; eigenvalue; quantum chemistry; Schrodinger equation; two-scale;

D O I：

暂无

中图分类号：

O29 [应用数学];

学科分类号：

070104 ;

摘要：

In this paper, both the standard finite element discretization and a two-scale finite element discretization for Schrodinger equations are studied. The numerical analysis is based on the regularity that is also obtained in this paper for the Schrodinger equations. Very satisfying applications to electronic structure computations are provided, too.

引用

页码：310 / 323

页数：14

共 43 条

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