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  • 1
    Electronic Resource
    Electronic Resource
    The self-consistent symmetrized OPW method with an application to crystalline selenium (1974)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 8 (1974), S. 395-422 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A review of the nonrelativistic self-consistent symmertrized orthogonalized-plane-wave (SCSOPW) method used for determining electronic energy bands in periodic solids is given. Working equations based on the full use of group theory at all stages are presented for elemental crystals. As an example the method is applied to the trigonal selenium crystal.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560080307
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