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Occupation matrix control of d- and f-electron localisations using DFT + U. (2014)

First Author: Allen JP

Attributed to: MATERIALS CHEMISTRY HIGH END COMPUTING CONSORTIUM funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1039/c4cp01083c

PubMed Identifier: 24832683

Publication URI: http://europepmc.org/abstract/MED/24832683

Type: Journal Article/Review

Volume: 16

Parent Publication: Physical chemistry chemical physics : PCCP

Issue: 39

ISSN: 1463-9076