The SIESTA method; developments and applicability
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
Collection
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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