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"Linear-scaling density-functional theory with tens of thousands of atoms: ..."

Nicholas D. M. Hine et al. (2009)

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DOI: 10.1016/J.CPC.2008.12.023

access: closed

type: Journal Article

metadata version: 2020-10-26

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Nicholas D. M. Hine, Peter D. Haynes, Arash A. Mostofi, Chris-Kriton Skylaris, Mike C. Payne:
Linear-scaling density-functional theory with tens of thousands of atoms: Expanding the scope and scale of calculations with ONETEP. Comput. Phys. Commun. 180(7): 1041-1053 (2009)

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