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  • 1
    Electronic Resource
    Electronic Resource
    Surface structure and energy spectra of localized states (1979)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 15 (1979), S. 281-291 
    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 simple model for surface reconstruction is developed utilizing the next-nearest-neighbor approximation within the framework of molecular-orbital theory. Exact energy expressions for this model and various special cases are derived, and they are illustrated by numerical results. The influence of a very weak surface deformation on the energy spectrum of surface states is also discussed.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560150304
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