Perspective: Methods for large-scale density functional calculations on metallic systems.

Aarons, Jolyon; Sarwar, Misbah; Thompsett, David; Skylaris, Chris-Kriton.

Afiliação

Aarons J; School of Chemistry, University of Southampton, Southampton SO17 1BJ, United Kingdom.
Sarwar M; Johnson Matthey Technology Centre, Sonning Common, Reading, United Kingdom.
Thompsett D; Johnson Matthey Technology Centre, Sonning Common, Reading, United Kingdom.
Skylaris CK; School of Chemistry, University of Southampton, Southampton SO17 1BJ, United Kingdom.

J Chem Phys ; 145(22): 220901, 2016 Dec 14.

Article em En | MEDLINE | ID: mdl-27984887

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Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2016 Tipo de documento: Article

Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2016 Tipo de documento: Article