NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations (Q777532)
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scientific article; zbMATH DE number 7218386
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations |
scientific article; zbMATH DE number 7218386 |
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NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations (English)
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7 July 2020
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density functional theory
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real space
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finite elements
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B-splines
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all-electron
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pseudopotential
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0.9369088
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0.91529727
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0.9038354
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0.8862111
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0.8839722
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