Interpolation Based Local Postprocessing for Adaptive Finite Element Approximations in Electronic Structure Calculations
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Aihui Zhou | Xingao Gong | Xingyu Gao | Jun Fang | X. Gong | Aihui Zhou | Xingyu Gao | Jun Fang
[1] Sullivan,et al. Real-space multigrid-based approach to large-scale electronic structure calculations. , 1996, Physical review. B, Condensed matter.
[2] Percy Deift,et al. Review: Shmuel Agmon, Lectures on exponential decay of solutions of second-order elliptic equations: bounds on eigenfunctions of $N$-body Schrödinger operators , 1985 .
[3] I. Babuska,et al. Finite element-galerkin approximation of the eigenvalues and Eigenvectors of selfadjoint problems , 1989 .
[4] Barry Simon,et al. Schrödinger operators in the twentieth century , 2000 .
[5] Philippe G. Ciarlet,et al. The finite element method for elliptic problems , 2002, Classics in applied mathematics.
[6] T. Beck. Real-space mesh techniques in density-functional theory , 2000, cond-mat/0006239.
[7] Harry Yserentant,et al. The Electronic Schrödinger Equation , 2010 .
[8] Richard M. Martin. Electronic Structure: Frontmatter , 2004 .
[9] P. Pulay. Convergence acceleration of iterative sequences. the case of scf iteration , 1980 .
[10] Jinchao Xu,et al. Local and Parallel Finite Element Algorithms for Eigenvalue Problems , 2002 .
[11] Aihui Zhou,et al. A Defect Correction Scheme for Finite Element Eigenvalues with Applications to Quantum Chemistry , 2006, SIAM J. Sci. Comput..
[12] R. Martin,et al. Electronic Structure: Basic Theory and Practical Methods , 2004 .
[13] Jinchao Xu,et al. Local and parallel finite element algorithms based on two-grid discretizations , 2000, Math. Comput..
[14] P. Pulay. Improved SCF convergence acceleration , 1982 .
[15] G. Burton. Sobolev Spaces , 2013 .
[16] I. Babuška,et al. Corrigendum: “Finite element-Galerkin approximation of the eigenvalues and eigenvectors of selfadjoint problems” [Math. Comp. 52 (1989), no. 186, 275–297; MR0962210 (89k:65132)] , 1994 .
[17] Jinchao Xu,et al. A two-grid discretization scheme for eigenvalue problems , 2001, Math. Comput..
[18] W. Kohn,et al. Self-Consistent Equations Including Exchange and Correlation Effects , 1965 .
[19] P. Bassanini,et al. Elliptic Partial Differential Equations of Second Order , 1997 .
[20] John R. Brauer. What every engineer should know about finite element analysis , 1995 .
[21] Ping Wang,et al. On the Monotonicity of (k;g,h)-graphs , 2002 .
[22] S. Goedecker. Linear scaling methods for the solution of schrödinger's equation , 2003 .
[23] M. Tsukada,et al. Electronic-structure calculations based on the finite-element method. , 1995, Physical review. B, Condensed matter.
[24] Gong,et al. FINITE ELEMENT APPROXIMATIONS FOR SCHR ¨ ODINGER EQUATIONS WITH APPLICATIONS TO ELECTRONIC STRUCTURE COMPUTATIONS * , 2008 .
[25] A. H. Schatz,et al. Interior maximum-norm estimates for finite element methods, part II , 1995 .
[26] Aihui Zhou,et al. Three-scale finite element eigenvalue discretizations , 2008 .
[27] J. Pask,et al. Finite element methods in ab initio electronic structure calculations , 2005 .
[28] Aihui Zhou,et al. Three-Scale Finite Element Discretizations for Quantum Eigenvalue Problems , 2007, SIAM J. Numer. Anal..
[29] Xiaoying Dai,et al. A LOCAL COMPUTATIONAL SCHEME FOR HIGHER ORDER FINITE ELEMENT EIGENVALUE APPROXIMATIONS , 2008 .
[30] Kohn,et al. Density functional and density matrix method scaling linearly with the number of atoms. , 1996, Physical review letters.
[31] Lihua Shen,et al. Finite element method for solving Kohn-Sham equations based on self-adaptive tetrahedral mesh , 2008 .