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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：117/0  |  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：127/0  |  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：124/0  |  提交时间：2021/04/26
Incommensurate systems  Localized-extended transition  Plane waves  
First-principles investigation of monatomic gold wires under tension 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 171, 页码: 7
作者:  He, Lianhua;  Liu, Fang;  Li, Ju;  Rignanese, Gian-Marco;  Zhou, Aihui
收藏  |  浏览/下载：122/0  |  提交时间：2020/05/24
First-principles calculations  Gold nanowires  Phonons  Kohn anomalies  Peierls instability  
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：123/0  |  提交时间：2021/04/26
density functional theory  dynamical system  gradient flow  orthogonality preserving  eigenvalue problem  energy minimization  
Plane wave methods for quantum eigenvalue problems of incommensurate systems 期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2019, 卷号: 384, 页码: 99-113
作者:  Zhou, Yuzhi;  Chen, Huajie;  Zhou, Aihui
收藏  |  浏览/下载：108/0  |  提交时间：2019/12/13
Incommensurate system  Quantum eigenvalue problem  Plane wave  Density functional theory  
A mathematical aspect of Hohenberg-Kohn theorem 期刊论文
SCIENCE CHINA-MATHEMATICS, 2019, 卷号: 62, 期号: 1, 页码: 63-68
作者:  Zhou, Aihui
收藏  |  浏览/下载：136/0  |  提交时间：2019/03/05
density functional theory  electronic structure  unique continuation principle  Hohenberg-Kohn theorem  
A CONJUGATE GRADIENT METHOD FOR ELECTRONIC STRUCTURE CALCULATIONS 期刊论文
SIAM JOURNAL ON SCIENTIFIC COMPUTING, 2017, 卷号: 39, 期号: 6, 页码: A2702-A2740
作者:  Dai, Xiaoying;  Liu, Zhuang;  Zhang, Liwei;  Zhou, Aihui
收藏  |  浏览/下载：113/0  |  提交时间：2018/07/30
conjugate gradient method  density functional theory  electronic structure  optimization