Elimination of basis set superposition error in linear-scaling density-functional calculations with local orbitals optimised in situ

Title:	Elimination of basis set superposition error in linear-scaling density-functional calculations with local orbitals optimised in situ
Authors:	Haynes, PD Skylaris, CK Mostofi, AA Payne, MC
Item Type:	Journal Article
Content Version:	Accepted version
Issue Date:	10-May-2006
Citation:	CHEM PHYS LETT Vol.( 422 ) No.( 4-6 ) pp 345 - 349
URI:	http://hdl.handle.net/10044/1/5818
Publisher Link:	http://dx.doi.org/10.1016/j.cplett.2006.02.086
DOI:	10.1016/j.cplett.2006.02.086
ISSN:	0009-2614
Publisher:	ELSEVIER SCIENCE BV
Start Page:	345
End Page:	349
Copyright Statement:	2006 Elsevier B.V. All rights reserved.This is the author's version of a work that was accepted for publication in Research Policy. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Chemical Physics Letters, volume 422, issue 4-6 (May 2006). doi:10.1016/j.cplett.2006.02.086
Volume:	422
Appears in Collections:	Materials