Accurate kinetic energy evaluation in electronic structure calculations with localized functions on real space grids (Q5953492): Difference between revisions

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Latest revision as of 10:21, 30 July 2024

scientific article; zbMATH DE number 1694708
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English
Accurate kinetic energy evaluation in electronic structure calculations with localized functions on real space grids
scientific article; zbMATH DE number 1694708

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    Accurate kinetic energy evaluation in electronic structure calculations with localized functions on real space grids (English)
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    8 October 2002
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    density functional theory
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    linear-scaling
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    regular real space grid
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    fast Fourier transforms
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    simulation cell
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