SIESTA (computer program)
- SIESTA (computer program)
SIESTA (Spanish Initiative for Electronic Simulations with Thousands of Atoms) is an original method and a software implementation for performing electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids.
It uses a density functional theory code that predicts the physical properties of a collection of atoms.
Properties that can be predicted using the code include Kohn-Sham band-structures, electron density, and Mulliken populations.
See also
* Quantum chemistry computer programs
References
*cite journal | url = http://www.iop.org/EJ/abstract/0953-8984/14/11/302/ | title = The SIESTA method for "ab initio" order-"N" materials simulation | journal = Journal of Physics: Condensed Matter | last = Soler | first = José M. | coauthors = "et al." | volume = 14 | pages = 2745–2779 | accessdate = 2006-08-23 | year = 2002 | doi = 10.1088/0953-8984/14/11/302 | format = abstract
External links
* [http://www.uam.es/departamentos/ciencias/fismateriac/siesta/ SIESTA website]
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