Computing localized representations of the Kohn-Sham subspace via randomization and refinement (Q4597613)
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scientific article; zbMATH DE number 6818298
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| English | Computing localized representations of the Kohn-Sham subspace via randomization and refinement |
scientific article; zbMATH DE number 6818298 |
Statements
Computing Localized Representations of the Kohn--Sham Subspace Via Randomization and Refinement (English)
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13 December 2017
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localization
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Kohn-Sham density functional theory
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selected columns of the density matrix
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column pivoted QR factorization
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0.7985089421272278
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0.6924365758895874
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0.6897119283676147
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0.6728938817977905
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