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Localized orbital scaling correction for systematic elimination of delocalization error in density functional approximations被引量：2
《National Science Review》2018年第2期203-215,共13页Chen Li Xiao Zheng Neil Qiang Su Weitao Yang 
Support from the National Science Foundation(CHE-1362927)(C.L.);the Ministry of Science and Technology of China(2016YFA0400900 and 2016YFA0200600)(X.Z.);the National Natural Science Foundation of China(21573202 and21233007)(X.Z.);the Strategic Priority Research Program(B)of the Chinese Academy of Sciences(XDB01020000)(X.Z.);the Fundamental Research Funds for Chinese Central Universities(2340000074)(X.Z.);the Center for Computational Design of Functional Layered Materials(Award DE-SC0012575);an Energy Frontier Research Center funded by the US Department of Energy,Office of Science,Basic Energy Sciences(N.Q.S.,W.Y.)
The delocalization error of popular density functional approximations(DFAs) leads to diversified problems in present-day density functional theory calculations. For achieving a universal elimination of delocalization ...
关键词：localized orbital scaling correction delocalization error density functional approximation localized frontier orbital local fraction orbitalet 
Adaptive Finite Element Approximations for a Class of Nonlinear Eigenvalue Problems in Quantum Physics
《Advances in Applied Mathematics and Mechanics》2011年第4期493-518,共26页Huajie Chen Xingao Gong Lianhua He Aihui Zhou 
This work was partially supported by the National Science Foundation of China under grants 10871198 and 10971059;the National Basic Research Program of China under grant 2005CB321704;the National High Technology Research and Development Program of China under grant 2009AA01A134。
In this paper,we study an adaptive finite element method for a class of nonlinear eigenvalue problems resulting from quantum physics that may have a nonconvex energy functional.We prove the convergence of adaptive fin...
关键词：Adaptive finite element CONVERGENCE MICRO-STRUCTURE nonlinear eigenvalue 
PARTIAL COMPACTNESS FOR LANDAU-LIFSHITZ MAXWELL EQUATION IN TWO-DIMENSION被引量：1
《Acta Mathematica Scientia》2011年第2期727-748,共22页寇艳蕾 丁时进 
supported by the National Natural Science Foundation of China (10471050);Guangdong Provincial Natural Science Foundation (031495);National 973 Project (2006CB805902)
We study the partial regularity of weak solutions to the 2-dimensional Landau- Lifshitz equations coupled with time dependent Maxwell equations by Ginzburg-Landau type approximation. Outside an energy concentration se...
关键词：Landau-Lifshitz-Maxwell equations ginzburg-landau approximations Haus-dorff measure partial regularity 
TWO-SCALE FINITE ELEMENT GREEN'S FUNCTION APPROXIMATIONS WITH APPLICATIONS TO ELECTROSTATIC POTENTIAL COMPUTATION被引量：1
《Journal of Systems Science & Complexity》2010年第1期177-193,共17页Ying YANG Aihui ZHOU 
partially supported by the National Science Foundation of China under Grant Nos. 10425105 and 10871198;the National Basic Research Program under Grant No. 2005CB321704
In this paper,a two-scale finite element approach is proposed and analyzed for approximationsof Green's function in three-dimensions.This approach is based on a two-scale finite elementspace defined,respectively,on th...
关键词：Error analysis finite element Green＇s function Poisson-Boltzmann equation two-scale. 
A UNIFIED A POSTERIORI ERROR ANALYSIS FOR DISCONTINUOUS GALERKIN APPROXIMATIONS OF REACTIVE TRANSPORT EQUATIONS被引量：9
《Journal of Computational Mathematics》2006年第3期425-434,共10页Ji-ming Yang Yan-ping Chen 
This work is supported by Program for New Century Excellent Talents in University of China State Education Ministry NCET-04-0776, National Science Foundation of China, the National Basic Research Program under the Grant 2005CB321703, and the key project of China State Education Ministry and Hunan Education Commission.
Four primal discontinuous Galerkin methods are applied to solve reactive transport problems, namely, Oden-BabuSka-Baumann DG （OBB-DG）, non-symmetric interior penalty Galerkin （NIPG）, symmetric interior penalty Gal...
关键词：A posteriori error estimates Duality techniques Discontinuous Galerkin methods 
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