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
 
Property / DOI: 10.1016/j.cpc.2008.12.023 / rank
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Property / author
 
Property / author: Peter D. Haynes / rank
 
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Property / author
 
Property / author: Arash A. Mostofi / rank
 
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Property / author
 
Property / author: Chris-Kriton Skylaris / rank
 
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Property / author
 
Property / author: Mike C. Payne / rank
 
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Property / Wikidata QID
 
Property / Wikidata QID: Q60264598 / rank
 
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Property / describes a project that uses
 
Property / describes a project that uses: ONETEP / rank
 
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Property / MaRDI profile type
 
Property / MaRDI profile type: MaRDI publication profile / rank
 
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Property / full work available at URL
 
Property / full work available at URL: https://doi.org/10.1016/j.cpc.2008.12.023 / rank
 
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Property / OpenAlex ID
 
Property / OpenAlex ID: W2035294853 / rank
 
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Property / cites work
 
Property / cites work: Some Recent Advances in Density Matrix Theory / rank
 
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Property / cites work
 
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
 
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
 
Property / cites work: A general parallel sparse-blocked matrix multiply for linear scaling SCF theory / rank
 
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Property / cites work
 
Property / cites work: A fast algorithm for particle simulations / rank
 
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Property / DOI
 
Property / DOI: 10.1016/J.CPC.2008.12.023 / rank
 
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Latest revision as of 21:57, 9 December 2024

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Linear-scaling density-functional theory with tens of thousands of atoms: expanding the scope and scale of calculations with ONETEP
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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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