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Variationally localized search direction method for constrained optimization of non-orthogonal, localized orbitals in electronic structure calculations. (2013)

First Author: Ruiz-Serrano Á

Attributed to: Support for the UK Car-Parrinello Consortium funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1063/1.4826164

PubMed Identifier: 24182007

Publication URI: http://europepmc.org/abstract/MED/24182007

Type: Journal Article/Review

Volume: 139

Parent Publication: The Journal of chemical physics

Issue: 16

ISSN: 0021-9606