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  • 1
    Electronic Resource
    Electronic Resource
    Computation and analysis of the full configuration interaction wave function of some simple systems (1993)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 48 (1993), S. 287-301 
    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 recently developed Full Configuration Interaction method is discussed and used to compute wave functions for N2 and H8 on an IBM RISC 6000 workstation. As a further application of the formalism a cluster and natural orbital analysis of the wave functions is performed for the N2 molecule at various internuclear distances and for the H8 model. © 1993 John Wiley & Sons, Inc.
    Additional Material: 6 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560480830
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