The SIESTA method; developments and applicability

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URI: http://hdl.handle.net/10902/4239
ISSN: 0953-8984
ISSN: 1361-648X
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Author
Artacho, Emilio; Anglada, Eduardo; Diéguez, Oswaldo; Gale, Julian D.; García Arribas, Alberto; Junquera Quintana, Francisco JavierAutoridad Unican; Martin, Richard M.; Ordejón, Pablo; Pruneda, José Miguel; Sánchez-Portal, Daniel; Soler, José M.
Date
2008-02
Derechos
© 2008 IOP Publishing Ltd
Publicado en
Journal of physics. Condensed matter, vol. 20, iss. 6, art, num, 064208 (2008)
Publisher
Institute of Physics
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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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