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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Computing Localized Representations of the Kohn--Sham Subspace Via Randomization and Refinement
scientific article; zbMATH DE number 6818298

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    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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