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  • 1
    Electronic Resource
    Electronic Resource
    Applicability of quasi-degenerate many-body perturbation theory to the ground state of the F2 molecule (1995)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 53 (1995), S. 297-308 
    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: The ground-state potential energy curve of the F2 molecule as well as spectroscopic constants were calculated by means of the second-order quasi-degenerate many-body perturbation theory within a full (eight) valence orbital space using a DZP basis set. The problem encountered with a large number of valence electrons is avoided by a proper redefinition of the Fermi vacuum. A comparison with other related multireference techniques is also provided. © 1995 John Wiley & Sons, Inc.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560530306
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