The SIESTA method; developments and applicability

Artacho, Emilio; Anglada, Eduardo; Diéguez, Oswaldo; Gale, Julian D.; García Arribas, Alberto; Junquera Quintana, Francisco Javier; Martin, Richard M.; Ordejón, Pablo; Pruneda, José Miguel; Sánchez-Portal, Daniel; Soler, José M.

doi:10.1088/0953-8984/20/6/064208

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The SIESTA method ... (313.3Kb)

Identificadores

URI: http://hdl.handle.net/10902/4239

DOI: 10.1088/0953-8984/20/6/064208

ISSN: 0953-8984

ISSN: 1361-648X

Fecha

2008-02

Derechos

Publicado en

Journal of physics. Condensed matter, vol. 20, iss. 6, art, num, 064208 (2008)

Editorial

Institute of Physics

Enlace a la publicación

http://dx.doi.org/10.1088/0953-8984/20/6/064208

Resumen/Abstract

Recent developments in and around the SIESTA method of first-principles simulation of condensed matter are described and reviewed, with emphasis on (i) the applicability of the method for large and varied systems, (ii) efficient basis sets for the standards of accuracy of density-functional methods, (iii) new implementations, and (iv) extensions beyond ground-state calculations.

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