The SIESTA method; developments and applicability

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Title:	The SIESTA method; developments and applicability
Authors:	Artacho, Emilio; Anglada, E.; Diéguez, Oswaldo ; Gale, Julian D.; García Arribas, Alberto ; Junquera, Javier; Martin, R. M.; Ordejón, Pablo ; Pruneda, Miguel ; Sánchez-Portal, Daniel ; Soler, José M.
Keywords:	Spanish Initiative for Electronic Simulations with Thousands of Atoms (SIESTA) Solids Molecules Electronic structure calculations Ab initio molecular dynamics simulations
Issue Date:	24-Jan-2008
Publisher:	Institute of Physics Publishing
Citation:	Journal of Physics: Condensed Matter 20: 064208 (2008)
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.
Description:	6 pages, 3 figures.-- Printed version published on Feb 13, 2008.
Publisher version (URL):	http://dx.doi.org/10.1088/0953-8984/20/6/064208
URI:	http://hdl.handle.net/10261/8439
DOI:	http://dx.doi.org/10.1088/0953-8984/20/6/064208
ISSN:	0953-8984
Appears in Collections:	(ICMAB) Artículos (CFM) Artículos

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