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Mar 13, 2009

The SIESTA method; developments and applicability, selected as one of the Top Papers in 2008

Pablo Ordejón, leader of the Theory and Simulation Group at CIN2 and other researchers are authors of The SIESTA method; developments and applicability.

Recent developments in and around the SIESTA method of first-principles simulation of condensed matter are described and reviewed, with emphasis on the applicability of the method for large and varied systems, efficient basis sets for the standards of accuracy of density-functional methods, new implementations, and extensions beyond ground-state calculations.

The work has been selected as one of the Top Papers published at Journal of Physics: Condensed Matter in 2008.

The SIESTA method; developments and applicability, selected as one of the Top Papers in 2008