The SIESTA method; developments and applicability
View/
Access Status
Open access
Authors
Artacho, E.
Anglada, E.
Dieguez, O.
Gale, Julian
Garca, A.
Junquera, J.
Martin, R.
Ordejn, P.
Pruneda, J.
Sanchez-Portal, D.
Soler, J.
Date
2008Type
Journal Article
Metadata
Show full item recordAbstract
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.
Citation
Artacho, Emilio and Anglada, E. and Dieguez, O and Gale, Julian and Garcia, A. and Junquera, J. and Martin, R. M. and Ordejn, P. and Pruneda, J. M. and Sanchez-Portal, D. and Soler, J. M.. 2008. The SIESTA method; developments and applicability. Journal of Physics: Condensed Matter 20 (6): 1-6.
Source Title
Journal of Physics: Condensed Matter
Faculty
Department of Applied Chemistry
Division of Engineering, Science and Computing
Faculty of Science
Collections
Related items
Showing items related by title, author, creator and subject.
-
Chow, Chi Ngok (2010)The largest wool exporter in the world is Australia, where wool being a major export is worth over AUD $2 billion per year and constitutes about 17 per cent of all agricultural exports. Most Australian wool is sold by ...
-
Woloszynski, T.; Podsiadlo, P.; Stachowiak, Gwidon (2015)Efficient numerical methods are essential in the analysis of finite hydrodynamic bearings with surface texturing. This is especially evident in optimization and parametric studies where the discretization and integration ...
-
Grigoleit, Mark Ted (2008)The Constrained Shortest Path Problem (CSPP) consists of finding the shortest path in a graph or network that satisfies one or more resource constraints. Without these constraints, the shortest path problem can be solved ...