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On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation 期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2023, 卷号: 472, 页码: 22
Authors:  Hu, Guanghui;  Xie, Hehu;  Xu, Fei
Favorite  |  View/Download:72/0  |  Submit date:2023/02/07
Kohn-Sham equation  Multilevel correction method  Finite element method  Separately handing nonlinear terms  Parallel computing  
A multilevel correction adaptive finite element method for Kohn-Sham equation 期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2018, 卷号: 355, 页码: 436-449
Authors:  Hu, Guanghui;  Xie, Hehu;  Xu, Fei
Favorite  |  View/Download:147/0  |  Submit date:2018/07/30
Density functional theory  Kohn-Sham equation  Multilevel correction  Adaptive finite element method  
A singularity-based eigenfunction decomposition for Kohn-Sham equations 期刊论文
SCIENCE CHINA-MATHEMATICS, 2016, 卷号: 59, 期号: 8, 页码: 1623-1634
Authors:  Zhang Xin;  Zhou Aihui
Favorite  |  View/Download:81/0  |  Submit date:2018/07/30
decomposition  eigenfunction  Kohn-Sham equation  full-potential  regularity  singularity  
ON THE ANALYSIS OF THE DISCRETIZED KOHN-SHAM DENSITY FUNCTIONAL THEORY 期刊论文
SIAM JOURNAL ON NUMERICAL ANALYSIS, 2015, 卷号: 53, 期号: 4, 页码: 1758-1785
Authors:  Liu, Xin;  Wen, Zaiwen;  Wang, Xiao;  Ulbrich, Michael;  Yuan, Yaxiang
Favorite  |  View/Download:107/0  |  Submit date:2018/07/30
Kohn-Sham total energy minimization  Kohn-Sham equation  self-consistent field iteration  nonlinear eigenvalue problem