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Accurate ionic forces and geometry optimization in linear-scaling density-functional theory with local orbitals (2011)

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/10.1103/physrevb.83.195102

Publication URI: http://dx.doi.org/10.1103/physrevb.83.195102

Type: Journal Article/Review

Parent Publication: Physical Review B

Issue: 19