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  • 1
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 43 (1992), S. 301-309 
    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: The ground states of atoms and molecules Li-, Be, LiH, LiH2-, and Li2 have been calculated using the n-electron wave functions built up with two kinds of geminals. As a comparison, the above systems have been calculated with the Hartree-Fock self-consistent field and the multi-configuration self-consistent field method as well. The results show that the wave functions in this work are capable of describing the electron correlations, and both kinds of geminals can be taken as a starting point in building up n-electron ground states.
    Additional Material: 8 Tab.
    Type of Medium: Electronic Resource
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