Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation (Q728633): Difference between revisions

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Latest revision as of 03:40, 13 July 2024

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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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