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Finite element approximations for Schrodinger equations with applications to electronic structure computations 期刊论文
JOURNAL OF COMPUTATIONAL MATHEMATICS, 2008, 卷号: 26, 期号: 3, 页码: 310-323
Authors:  Gong, Xin-Gao;  Shen, Lihua;  Zhang, Dier;  Zhou, Aihui
Favorite  |  View/Download:5/0  |  Submit date:2018/07/30
error analysis  finite element  eigenvalue  quantum chemistry  Schrodinger equation  two-scale  
Three-scale finite element discretizations for quantum eigenvalue problems 期刊论文
SIAM JOURNAL ON NUMERICAL ANALYSIS, 2008, 卷号: 46, 期号: 1, 页码: 295-324
Authors:  Dai, Xiaoying;  Zhou, Aihui
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eigenvalue  finite element  ground state energy  local computation  three-scale  quantum chemistry  
A defect correction scheme for finite element eigenvalues with applications to quantum chemistry 期刊论文
SIAM JOURNAL ON SCIENTIFIC COMPUTING, 2006, 卷号: 28, 期号: 1, 页码: 321-338
Authors:  Shen, LH;  Zhou, AH
Favorite  |  View/Download:4/0  |  Submit date:2018/07/30
defect correction  eigenvalue  finite element  Hartree-Fock equation  highly accurate  quantum chemistry