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  • 1
    Electronic Resource
    Electronic Resource
    Use of the chemical potential to improve energies from approximate wave functions (1991)
    Springer
    Theoretical chemistry accounts 78 (1991), S. 281-285 
    Details
    ISSN: 1432-2234
    Keywords: Chemical potential ; Density functional theory ; Hardness ; Local energy ; Variance
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary An equation derived from density functional theory is used to improve energies calculated from approximate wave functions. The examples used are perturbed particle in a box and harmonic oscillators. The equation depends on the constancy of the chemical potential in these systems. The results are quite promising.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01112851
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