A singularity-based eigenfunction decomposition for Kohn-Sham equations 被引量：1

A singularity-based eigenfunction decomposition for Kohn-Sham equations

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摘要 We show that the eigenfunctions of Kohn-Sham equations can be decomposed as ■ = F ψ, where F depends on the Coulomb potential only and is locally Lipschitz, while ψ has better regularity than ■. We show that the eigenfunctions of Kohn-Sham equations can be decomposed as ψ =Fψ, where F depends on the Coulomb potential only and is locally Lipschitz, while ψ has better regularity than ψ.

作者 ZHANG Xin ZHOU Aihui

机构地区 SWIEE LSEC

出处《Science China Mathematics》 SCIE CSCD 2016年第8期1623-1634,共12页 中国科学：数学（英文版）

基金 supported by National Natural Science Foundation of China (Grant No. 91330202) the Funds for Creative Research Groups of China (Grant No. 11321061) National Basic Research Program of China (Grant No. 2011CB309703) the National Center for Mathematics and Interdisciplinary Sciences of the Chinese Academy of Sciences

关键词 DECOMPOSITION EIGENFUNCTION Kohn-Sham equation full-potential REGULARITY SINGULARITY 函数分解本征函数方程奇异性 Lipschitz 库仑势

分类号 O175 [理学—基础数学]

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1Yvon MADAY.h-P Finite Element Approximation for Full-Potential Electronic Structure Calculations[J].Chinese Annals of Mathematics,Series B,2014,35(1):1-24. 被引量：1

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