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    The SIESTA method; developments and applicability

    20625_downloaded_stream_81.pdf (324.2Kb)
    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
    2008
    Type
    Journal Article
    
    Metadata
    Show full item record
    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
    DOI
    10.1088/0953-8984/20/6/064208
    Faculty
    Department of Applied Chemistry
    Division of Engineering, Science and Computing
    Faculty of Science
    URI
    http://hdl.handle.net/20.500.11937/6839
    Collection
    • Curtin Research Publications
    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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