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

Linear-scaling density-functional theory with tens of thousands of atoms: expanding the scope and scale of calculations with ONETEP (Q603251)

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scientific article; zbMATH DE number 5812914
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Linear-scaling density-functional theory with tens of thousands of atoms: expanding the scope and scale of calculations with ONETEP
scientific article; zbMATH DE number 5812914

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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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