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A framework of constraint preserving update schemes for optimization on Stiefel manifold 期刊论文
MATHEMATICAL PROGRAMMING, 2015, 卷号: 153, 期号: 2, 页码: 535-575
Authors:  Jiang, Bo;  Dai, Yu-Hong
Favorite  |  View/Download:17/0  |  Submit date:2018/07/30
Stiefel manifold  Orthogonality constraint  Sphere constraint  Range space  Null space  Barzilai-Borwein-like method  Feasible  Adaptive nonmonotone line search  Low-rank correlation matrix  Kohn-Sham total energy minimization  Heterogeneous quadratic functions  
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:11/0  |  Submit date:2018/07/30
Kohn-Sham total energy minimization  Kohn-Sham equation  self-consistent field iteration  nonlinear eigenvalue problem