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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
Authors:  Dai, Xiaoying;  Liu, Zhuang;  Zhang, Xin;  Zhou, Aihui
Favorite  |  View/Download：68/0  |  Submit date：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
Authors:  Wang, Ting;  Chen, Huajie;  Zhou, Aihui;  Zhou, Yuzhi
Favorite  |  View/Download：77/0  |  Submit date：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
Authors:  Yang, Bin;  Zhou, Aihui
Favorite  |  View/Download：91/0  |  Submit date：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
Authors:  Chen, Huajie;  Zhou, Aihui;  Zhou, Yuzhi
Favorite  |  View/Download：84/0  |  Submit date：2021/04/26
Incommensurate systems  Localized-extended transition  Plane waves  
Two-Grid Based Adaptive Proper Orthogonal Decomposition Method for Time Dependent Partial Differential Equations 期刊论文
JOURNAL OF SCIENTIFIC COMPUTING, 2020, 卷号: 84, 期号: 3, 页码: 27
Authors:  Dai, Xiaoying;  Kuang, Xiong;  Xin, Jack;  Zhou, Aihui
Favorite  |  View/Download：114/0  |  Submit date：2020/10/12
Proper orthogonal decomposition  Galerkin projection  Error indicator  Adaptive  Two grid  
First-principles investigation of monatomic gold wires under tension 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 171, 页码: 7
Authors:  He, Lianhua;  Liu, Fang;  Li, Ju;  Rignanese, Gian-Marco;  Zhou, Aihui
Favorite  |  View/Download：88/0  |  Submit date：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
Authors:  Dai, Xiaoying;  Wang, Qiao;  Zhou, Aihui
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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
Authors:  Zhou, Yuzhi;  Chen, Huajie;  Zhou, Aihui
Favorite  |  View/Download：80/0  |  Submit date：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
Authors:  Zhou, Aihui
Favorite  |  View/Download：104/0  |  Submit date：2019/03/05
density functional theory  electronic structure  unique continuation principle  Hohenberg-Kohn theorem  
amathematicalaspectofhohenbergkohntheorem 期刊论文
中国科学数学英文版, 2019, 卷号: 062, 期号: 001, 页码: 63
Authors:  Aihui Zhou
Favorite  |  View/Download：102/0  |  Submit date：2020/01/10