Self-consistent-field calculations using Chebyshev-filtered subspace iteration (Q856382)
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scientific article; zbMATH DE number 5078590
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| English | Self-consistent-field calculations using Chebyshev-filtered subspace iteration |
scientific article; zbMATH DE number 5078590 |
Statements
Self-consistent-field calculations using Chebyshev-filtered subspace iteration (English)
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7 December 2006
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density functional theory
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Chebyshev polynomial filter
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subspace iteration
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eigenproblem
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real-space pseudopotential
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numerical examples
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Kohn-Sham equations
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self-consistent-field iteration
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eigenvalue
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invariant subspace
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0.8689802289009094
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0.8547050952911377
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0.7789525389671326
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0.7775917053222656
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0.7765923738479614
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