Linear-scaling density-functional theory with tens of thousands of atoms: Expanding the scope and scale of calculations with ONETEP (2009)
Abstract
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Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1016/j.cpc.2008.12.023
Publication URI: http://dx.doi.org/10.1016/j.cpc.2008.12.023
Type: Journal Article/Review
Parent Publication: Computer Physics Communications
Issue: 7