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s function multiple-scattering theory with a truncated basis set: An augmented-KKR formalism

Titles function multiple-scattering theory with a truncated basis set: An augmented-KKR formalism
Publication TypeJournal Article
Year of Publication2014
AuthorsAlam, A, Khan, SN, Smirnov, AV, Nicholson, DM, Johnson, DD
JournalPhysical Review B
Volume90
Pagination205102
Date Published11
Type of ArticleArticle
ISBN Number1098-0121
Accession NumberWOS:000344488500004
Keywordsab-initio, commensurate, consistent electronic-structure, density, incommensurate, iron, ni-zn system, random alloys, total-energy
Abstract

s formula. We apply our formalism to fcc Cu, bcc Fe, and L1(0) CoPt and present the numerical results for accuracy and for the convergence of the total energies, Fermi energies, and magnetic moments versus L-max for a given L-tr

DOI10.1103/PhysRevB.90.205102
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