Linear-scaling density-functional theory with tens of thousands of atoms: expanding the scope and scale of calculations with ONETEP (Q603251): Difference between revisions
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| Property / DOI: 10.1016/j.cpc.2008.12.023 / rank | |||
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| Property / cites work: Some Recent Advances in Density Matrix Theory / rank | |||
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| Property / cites work: Accurate kinetic energy evaluation in electronic structure calculations with localized functions on real space grids / rank | |||
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| Property / cites work: Total-energy calculations on a real space grid with localized functions and a plane-wave basis. / rank | |||
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| Property / cites work: A general parallel sparse-blocked matrix multiply for linear scaling SCF theory / rank | |||
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| Property / cites work: A fast algorithm for particle simulations / rank | |||
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| Property / DOI: 10.1016/J.CPC.2008.12.023 / rank | |||
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Latest revision as of 21:57, 9 December 2024
scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Linear-scaling density-functional theory with tens of thousands of atoms: expanding the scope and scale of calculations with ONETEP |
scientific article |
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Linear-scaling density-functional theory with tens of thousands of atoms: expanding the scope and scale of calculations with ONETEP (English)
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6 November 2010
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\texttt{ONETEP}
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applications of density-functional theory
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methods of electronic structure calculations
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