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Linear-scaling density-functional theory with tens of thousands of atoms: Expanding the scope and scale of calculations with ONETEP (2009)

First Author: Hine N

Attributed to: Development of wide-ranging functionality in ONETEP funded by EPSRC

Abstract

No abstract provided

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