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An Asymptotics-Based Adaptive Finite Element Method for Kohn–Sham Equation Journal article
Journal of Scientific Computing, 2019,Volume: 79,Issue: 1,Page: 464–492
Authors:  Yedan Shen;  Yang Kuang;  Guanghui Hu
Favorite  |  View/Download:2/0  |  Submit date:2019/06/03
Electronic Structure Calculation  Coarsening Mesh  Kohn–sham Density Functional Theory  Adaptive Finite Element Method  Ground State Energy  
Introduction of benzotriazole into graphene oxide for highly selective coadsorption of An and Ln: Facile synthesis and theoretical study Journal article
CHEMICAL ENGINEERING JOURNAL, 2018,Volume: 344,Page: 594-603
Authors:  Ding, Jie;  Tang, Siqun;  Chen, Xiao;  Ding, Mu;  Kang, Jinyang;  Wu, Rulei;  Fu, Zhihai;  Jin, Yongdong;  Li, Laicai;  Feng, Xiaojie;  Wang, Ruibing;  Xia, Chuanqin
Favorite  |  View/Download:10/0  |  Submit date:2018/10/30
Graphene oxide  5-Methylbenzotriazole  Actinides  Lanthanides  Selectivity  Density functional theory  
A multilevel correction adaptive finite element method for Kohn-Sham equation Journal article
JOURNAL OF COMPUTATIONAL PHYSICS, 2018,Volume: 355,Page: 436-449
Authors:  Hu, Guanghui;  Xie, Hehu;  Xu, Fei
Favorite  |  View/Download:9/0  |  Submit date:2018/10/30
Density functional theory  Kohn-Sham equation  Multilevel correction  Adaptive finite element method  
A multilevel correction adaptive finite element method for Kohn–Sham equation Journal article
Journal of Computational Physics, 2018,Volume: 355,Page: 436-449
Authors:  Hu G.;  Xie H.;  Xu F.
Favorite  |  View/Download:7/0  |  Submit date:2019/02/13
Adaptive Finite Element Method  Density Functional Theory  Kohn–sham Equation  Multilevel Correction  
Stabilization of BeZnO alloy by S incorporation: A density functional theory investigation Journal article
Journal of Alloys and Compounds, 2016,Volume: 658,Page: 636-641
Authors:  Chen M.;  Yong D.;  Wu C.;  Shen Z.;  Chen A.;  Zhu Y.;  Pan B.;  Tang Z.
Favorite  |  View/Download:4/0  |  Submit date:2019/04/08
Band-gap Engineering  Beznos  Density Functional Theory  Formation Energy  
Mechanism of insulator-to-metal transition in heavily Nb doped anatase TiO2 Journal article
MATERIALS RESEARCH EXPRESS, 2014,Volume: 1,Issue: 1
Authors:  J Tao;  H Pan;  LM Wong;  TI Wong;  JW Chai;  J Pan;  SJ Wang
Favorite  |  View/Download:1/0  |  Submit date:2019/04/16
Transparent Conducting Oxide  Density-functional Theory  X-ray Photoelectron Spectroscopy  Nb-doped Anatase Tio2  
Multi-physical modeling and multi-scale computation of nano-optical responses Conference paper
RECENT ADVANCES IN SCIENTIFIC COMPUTING AND APPLICATIONS, Univ Nevada, Las Vegas, NV, APR 01-04, 2012
Authors:  Bao, Gang;  Hu, Guanghui;  Liu, Di;  Luo, Songting
Favorite  |  View/Download:13/0  |  Submit date:2019/06/06
Optical Response  Multiscale Methods  Adaptive Methods  Density Functional Theory  Nanostructures  
Numerical solution of the kohn-sham equation by finite element methods with an adaptive mesh redistribution technique Journal article
Journal of Scientific Computing, 2013,Volume: 55,Issue: 2,Page: 372-391
Authors:  Bao G.;  Hu G.;  Liu D.
Favorite  |  View/Download:4/0  |  Submit date:2019/02/13
Adaptive Mesh Redistribution  Density Functional Theory  Finite Element Method  Harmonic Map  Kohn-sham Equation