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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scientific article
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| English | Linear-scaling density-functional theory with tens of thousands of atoms: expanding the scope and scale of calculations with ONETEP |
scientific article |
Statements
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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