Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation (Q728633): Difference between revisions
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Revision as of 02:11, 29 February 2024
scientific article
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| English | Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation |
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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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