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  • 1
    Electronic Resource
    Electronic Resource
    Second-order correlation potential in the Kohn-Sham approximation for atoms (1991)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 40 (1991), S. 421-428 
    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 new type of correlation functional derived from the second-order expression for the correlation energy of an atom is proposed. The derived correlation potential contains one free parameter, which is determined by fitting the known pair correlation energy. The calculations with this potential in the Kohn-Sham approximation give rather accurate values for the matrix elements of different operators.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560400314
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