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  • 1
    Electronic Resource
    Electronic Resource
    Ab initio pseudopotential calculation of the photo-response of metal clusters (1997)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 106 (1997), S. 6039-6044 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The photoabsorption cross section of small sodium and lithium clusters is computed in the time-dependent local density approximation to density functional theory, making use of two different types of ab initio nonlocal pseudopotentials. The equilibrium geometries of the clusters have been obtained via Langevin quantum molecular dynamics. It is found that the average bond length of the clusters and their static polarizabilities depend on the input pseudopotential. Nonetheless, it is found that the different pseudopotentials lead to the same equilibrium shape for the clusters, and to multipeaked line shapes for the photoabsorption cross sections which are nearly identical, apart from small overall energy shifts. For sodium, it is found that the local reduction of the pseudopotential obtained by keeping only its s-part provides, in all cases, an excellent approximation to the full pseudopotential, whereas for lithium the same procedure proves inaccurate. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.473608
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  • 2
    Electronic Resource
    Electronic Resource
    Structural and electronic properties of C36 (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 114 (2001), S. 6068-6071 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We carry out a first-principles and comparative study of structural and electronic properties of the two most stable—and equally stable—isomers of fullerene C36. We find that the remarkable equivalence exhibited by the two isomers in what concerns their stability extends to many other electronic properties. However, their different geometric structure is responsible for sizeable differences in their vibrational spectra; as well we find that the quantization of electronic states around the Fermi level leads to a different distribution of strength for the low-energy electronic excitations. These features may contribute to a rich and distinct interplay between electrons and phonons in the bulk phase. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1355985
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  • 3
    Electronic Resource
    Electronic Resource
    A new formulation of the dynamical response of many-electron systems and the photoabsorption cross section of small metal clusters (1992)
    Springer
    The European physical journal 24 (1992), S. 65-69 
    Details
    ISSN: 1434-6079
    Keywords: 36.40. + d ; 31.50. + d ; 33.20.Kf
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Static polarizabilities and photoabsorption cross sections of clusters Na 7 − , Na8, Na 19 − Na20 are calculated, based on the spherical jellium model including the self-interaction correction (SIC) of Perdew and Zunger. To this end, a new formulation of the theory of the linear response is presented, which is suitable for general, self-interaction corrected, many-electron systems. The results obtained display an overall agreement with available experimental data, offering a systematic improvement with respect to the standard TDLDA. Furthermore, the cross sections of the negatively charged clusters are found to be dominated by a broad peak in the visible region, whose line width can be related to the lifetime of the surface plasmon against electron detachment.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01436605
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  • 4
    Electronic Resource
    Electronic Resource
    Effects of motional narrowing on the plasmon resonance in small metal clusters (1992)
    Springer
    The European physical journal 24 (1992), S. 401-405 
    Details
    ISSN: 1434-6079
    Keywords: 71.45.Gm
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A model accounting for the time dependence of shape fluctuations in metal microclusters and their effect on the damping width of the plasmon resonance is discussed. An estimate of the relaxation time of the quadrupole shape is given, and calculations demonstrating the effects of time-dependent thermal fluctuations on the plasmon in K 9 + are presented.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01426690
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  • 5
    Electronic Resource
    Electronic Resource
    The intrinsic line width of the plasmon resonances in metal microclusters at very low temperatures: quantal surface fluctuations (1991)
    Springer
    The European physical journal 21 (1991), S. 289-292 
    Details
    ISSN: 1434-6079
    Keywords: 73.20.Mf ; 36.40. + d ; 71.45. − d
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The line shape of the plasmon resonance in a cold, small sodium cluster (Na8) is calculated taking into account its coupling to the quantal quadrupole fluctuations of the cluster shape. This coupling is found to give rise to a small damping factor (Γ/ħω1∼0.03, where ħω1 denotes the energy centroid and Γ the full width at half maximum of the resonance), and to an asymmetric line shape with Gaussian behaviour in the wings.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01426388
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