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Showing 1 to 2 of 2 for “"local orbital method"”.

  1. The development of a local orbital method and its applications to aluminum and platinum clusters

    Yang, Sang HoonUniversity of Illinois at Urbana-Champaign2011

    We generalized the method of Sankey and co-workers, which is based on the ab initio Harris functional of the local density approximation of density functional theory, by adding d orbitals into the original local orbital basis set of $sp\sp3$ orbitals. This enables the treatment of most elements in …

    uiuc Repository record

  2. The development of a local orbital method and its applications to the aluminum and platinum clusters

    Yang, Sang Hoon2011

    Thesis

    uiuc Repository record