Please use this identifier to cite or link to this item:
http://hdl.handle.net/10261/8439Share/Export:
 SHARE
 CORE
BASE
|
|
| Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE | |
| Title: | The SIESTA method; developments and applicability |
Authors: | Artacho, Emilio; Anglada, E.; Diéguez, Oswaldo CSIC; Gale, Julian D.; García Arribas, Alberto CSIC ORCID; Junquera, Javier; Martin, R. M.; Ordejón, Pablo CSIC ORCID; Pruneda, Miguel CSIC ORCID; Sánchez-Portal, Daniel CSIC ORCID ; Soler, Josep M. CSIC ORCID | 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: | 10.1088/0953-8984/20/6/064208 | ISSN: | 0953-8984 |
| Appears in Collections: | (ICMAB) Artículos (CFM) Artículos |
Show full item record
Review this work
WARNING: Items in Digital.CSIC are protected by copyright, with all rights reserved, unless otherwise indicated.