Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation (Q728633)
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scientific article; zbMATH DE number 6666410
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| English | Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation |
scientific article; zbMATH DE number 6666410 |
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Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation (English)
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20 December 2016
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density functional theory
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electronic structure problem
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real space pseudopotentials
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self-consistency
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Chebyshev filters
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Hamiltonian
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diagonalization
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nonlinear eigenvalue problem
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subspace filtering
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0.8689802289009094
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0.865079402923584
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0.7485496401786804
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0.7452572584152222
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