A singularity-based eigenfunction decomposition for Kohn-Sham equations

被引：1
作者：
Zhang Xin [1 ]
Zhou Aihui [2 ]
机构：
[1] Southwest China Res Inst Elect Equipment, SWIEE, Chengdu 610036, Peoples R China
[2] Chinese Acad Sci, Acad Math & Syst Sci, Inst Computat Math & Sci Engn Comp, LSEC, Beijing 100190, Peoples R China
来源：
SCIENCE CHINA-MATHEMATICS | 2016年 / 59卷 / 08期
关键词：
decomposition; eigenfunction; Kohn-Sham equation; full-potential; regularity; singularity; ELECTRONIC-STRUCTURE CALCULATIONS; DENSITY-FUNCTIONAL THEORY; NUMERICAL-ANALYSIS; APPROXIMATIONS; MODELS; MESH; SCHEME;
D O I：
10.1007/s11425-016-0269-7
中图分类号：
O29 [应用数学];
学科分类号：
070104 ;
摘要：
We show that the eigenfunctions of Kohn-Sham equations can be decomposed as I = F psi, where F depends on the Coulomb potential only and is locally Lipschitz, while psi has better regularity than Psi.
引用
收藏
页码：1623 / 1634
页数：12
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