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  • 1
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    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: Through a new local density approximation to the kinetic energy density functional introduced by us recently, a simple Thomas-Fermi-like scheme for the direct calculation of electron density in atoms is proposed. The calculated density is nonsingular at the nucleus and the energy values are in very good agreement with the corresponding Hartree-Fock results for atoms. © 1994 John Wiley & Sons, Inc.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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