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  • 1
    Electronic Resource
    Electronic Resource
    Evolution of the electronic structure of lithium clusters between four and eight atoms (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 1793-1809 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Absorption spectra of lithium clusters containing four to eight atoms have been measured using depletion spectroscopy. Few intense transitions are observed, always located in two predominant spectral regions, ∼480 and 680 nm. The spectra are interpreted using ab initio configuration interaction (CI) calculations, leading to a complete characterization of the excited states and a straightforward determination of the ground state geometrical structure. Intense transitions are explained by interference effects in the transition amplitude and symmetry considerations. Comparisons with semiclassical models, in which an effective mass correction is introduced, are also presented.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.462846
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Quantum molecular interpretation of the absorption spectra of Na5, Na6, and Na7 clusters (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 7938-7958 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The configuration-interaction study of the excited states of the most-stable structures of Na5, Na6, and Na7 clusters employing ab initio effective-core potential corrected by the core polarization potential predicts spectroscopic patterns which are in good agreement with the measured depletion spectra. A comparison of the transition energies and the oscillator strengths with the experimental data makes possible tentative structural assignments. Planar Na5 and Na6 structures and the three-dimensional pentagonal bipyramid for Na7 appear responsible for the recorded spectra. The full agreement between theory and experiment is present for Na6 and Na7. The measured cross sections and calculated oscillator strengths for Na5 compare better for lower transition energies than for higher ones. A many-electron description of the excited states of Na5, Na6, and Na7 yields a complete quantum molecular interpretation of the absorption spectra. From a comparison of the experimental and theoretical results the conclusion has been drawn that a transition from planarity to the three dimensionality takes place for Na7.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.462346
    Library Location Call Number Volume/Issue/Year Availability
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    Paper (German National Licenses)
    Fulltext
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