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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：102/0  |  提交时间：2022/04/02
Density functional theory  Electronic structure calculations  Kohn-Sham energy functional minimization problem  Parallel orbital-updating  Optimization method  
Layer-Splitting Methods for Time-Dependent Schrodinger Equations of Incommensurate Systems 期刊论文
COMMUNICATIONS IN COMPUTATIONAL PHYSICS, 2021, 卷号: 30, 期号: 5, 页码: 1474-1498
作者:  Wang, Ting;  Chen, Huajie;  Zhou, Aihui;  Zhou, Yuzhi
收藏  |  浏览/下载：116/0  |  提交时间：2022/04/02
Incommensurate system  time-dependent Schrodinger equation  time stepping scheme  
Eigenfunction behavior and adaptive finite element approximations of nonlinear eigenvalue problems in quantum physics 期刊论文
ESAIM-MATHEMATICAL MODELLING AND NUMERICAL ANALYSIS-MODELISATION MATHEMATIQUE ET ANALYSE NUMERIQUE, 2021, 卷号: 55, 期号: 1, 页码: 209-227
作者:  Yang, Bin;  Zhou, Aihui
收藏  |  浏览/下载：125/0  |  提交时间：2021/04/26
Adaptive finite element approximation  complexity  convergence  nonlinear eigenvalue problem  non-polynomial behavior  unique continuation property  
Plane wave study on the localized-extended transition in the one-dimensional incommensurate systems 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 188, 页码: 9
作者:  Chen, Huajie;  Zhou, Aihui;  Zhou, Yuzhi
收藏  |  浏览/下载：121/0  |  提交时间：2021/04/26
Incommensurate systems  Localized-extended transition  Plane waves