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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:113/0  |  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:124/0  |  提交时间:2021/04/26
Adaptive finite element approximation  complexity  convergence  nonlinear eigenvalue problem  non-polynomial behavior  unique continuation property  
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:117/0  |  提交时间:2020/05/24
First-principles calculations  Gold nanowires  Phonons  Kohn anomalies  Peierls instability  
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:104/0  |  提交时间:2019/12/13
Incommensurate system  Quantum eigenvalue problem  Plane wave  Density functional theory  
A parallel orbital-updating based plane-wave basis method for electronic structure calculations 期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2017, 卷号: 348, 页码: 482-492
作者:  Pan, Yan;  Dai, Xiaoying;  de Gironcoli, Stefano;  Gong, Xin-Gao;  Rignanese, Gian-Marco;  Zhou, Aihui
收藏  |  浏览/下载:121/0  |  提交时间:2018/07/30
Density functional theory  Electronic structure  Plane-wave  Parallel orbital-updating  
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:110/0  |  提交时间:2018/07/30
conjugate gradient method  density functional theory  electronic structure  optimization