Accurate kinetic energy evaluation in electronic structure calculations with localized functions on real space grids (Q5953492)
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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 |
Statements
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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0.7804309129714966
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0.7161708474159241
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0.7121813893318176
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0.6992185711860657
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