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A parallel orbital-updating based optimization method for electronic structure calculations 期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2021, 卷号: 445, 页码: 17
作者:  Dai, Xiaoying;  Liu, Zhuang;  Zhang, Xin;  Zhou, Aihui
收藏  |  浏览/下载：100/0  |  提交时间：2022/04/02
Density functional theory  Electronic structure calculations  Kohn-Sham energy functional minimization problem  Parallel orbital-updating  Optimization method  
GRADIENT FLOW BASED KOHN-SHAM DENSITY FUNCTIONAL THEORY MODEL 期刊论文
MULTISCALE MODELING & SIMULATION, 2020, 卷号: 18, 期号: 4, 页码: 1621-1663
作者:  Dai, Xiaoying;  Wang, Qiao;  Zhou, Aihui
收藏  |  浏览/下载：121/0  |  提交时间：2021/04/26
density functional theory  dynamical system  gradient flow  orthogonality preserving  eigenvalue problem  energy minimization  
Optimal lower bound for the first eigenvalue of fourth order measure differential equation 期刊论文
Boundary Value Problems, 2018, 卷号: 2018, 期号: 1
作者:  Lijuan,Zhou;  Gang,Meng
收藏  |  浏览/下载：150/0  |  提交时间：2019/01/07
Eigenvalue  Fourth order equation  Minimization problem  Optimal lower bound  
Strong convergence and bounded perturbation resilience of a modified proximal gradient algorithm 期刊论文
Journal of Inequalities and Applications, 2018, 卷号: 2018, 期号: 1
作者:  Guo,Yanni;  Cui,Wei
收藏  |  浏览/下载：152/0  |  提交时间：2018/07/30
Strong convergence  Bounded perturbation resilience  Modified proximal gradient algorithm  Viscosity approximation  Convex minimization problem  
Modulus-based iterative methods for constrained Tikhonov regularization 期刊论文
JOURNAL OF COMPUTATIONAL AND APPLIED MATHEMATICS, 2017, 卷号: 319, 页码: 1-13
作者:  Bai, Zhong-Zhi;  Buccini, Alessandro;  Hayami, Ken;  Reichel, Lothar;  Yin, Jun-Feng;  Zheng, Ning
收藏  |  浏览/下载：102/0  |  提交时间：2018/07/30
Discrete ill-posed problem  Regularization method  Constrained minimization  
Accelerated Mann and CQ algorithms for finding a fixed point of a nonexpansive mapping 期刊论文
Fixed Point Theory and Applications, 2015, 卷号: 2015, 期号: 1
作者:  Dong,Qiao-Li;  Yuan,Han-bo
收藏  |  浏览/下载：113/0  |  提交时间：2018/07/30
nonexpansive mapping  convex minimization problem  Picard algorithm  Mann algorithm  CQ algorithm  conjugate gradient method  steepest descent method  
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
作者:  Liu, Xin;  Wen, Zaiwen;  Wang, Xiao;  Ulbrich, Michael;  Yuan, Yaxiang
收藏  |  浏览/下载：113/0  |  提交时间：2018/07/30
Kohn-Sham total energy minimization  Kohn-Sham equation  self-consistent field iteration  nonlinear eigenvalue problem  
A cut-peak function method for global optimization 期刊论文
JOURNAL OF COMPUTATIONAL AND APPLIED MATHEMATICS, 2009, 卷号: 230, 期号: 1, 页码: 135-142
作者:  Wang, Yuncheng;  Fang, Weiwu;  Wu, Tianjiao
收藏  |  浏览/下载：100/0  |  提交时间：2018/07/30
Global optimization  Cut-peak function  Box constrained minimization problem  Smoothing technique  
Stochastic R-0 matrix linear complementarity problems 期刊论文
SIAM JOURNAL ON OPTIMIZATION, 2007, 卷号: 18, 期号: 2, 页码: 482-506
作者:  Fang, Haitao;  Chen, Xiaojun;  Fukushima, Masao
收藏  |  浏览/下载：88/0  |  提交时间：2018/07/30
stochastic linear complementarity problem  R-0 matrix  expected residual minimization  
A globally derivative-free descent method for nonlinear complementarity problems 期刊论文
JOURNAL OF COMPUTATIONAL MATHEMATICS, 2000, 卷号: 18, 期号: 3, 页码: 251-264
作者:  Qi, HD;  Zhang, YZ
收藏  |  浏览/下载：89/0  |  提交时间：2018/07/30
complementarity problem  NCP-function  unconstrained minimization method  derivative-free descent method