FINITE ELEMENT APPROXIMATIONS FOR SCHR(O)DINGER EQUATIONS WITH APPLICATIONS TO ELECTRONIC STRUCTURE COMPUTATIONS

• 来源期刊: 计算数学（英文版）
• 关键词: Error analysis Finite element Eigenvalue Quantum chemistry Schr5dinger equation Two-scale
• 年，卷（期）: 2008,（3）
• 页码范围: 310-323
• 页数: 14页
• 语种: 英文

摘要

In this paper, both the standard finite element discretization and a two-scale finite element discretization for SchrSdinger 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.