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Title: | The SIESTA method; developments and applicability |
Authors: | Artacho, Emilio; Anglada, E.; Diéguez, Oswaldo ![]() ![]() ![]() ![]() ![]() |
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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