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  • 1995-1999  (2)
  • 36.40  (1)
  • PACS: 36.40.-c Atomic and molecular clusters – 31.15.-p Calculations and mathematical techniques in atomic and molecular physics – 71.15.-m Methods of electronic structure calculations  (1)
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  • 1
    Electronic Resource
    Electronic Resource
    Structure and optic response of the Na9 + and Na55 + clusters (1999)
    Springer
    The European physical journal 9 (1999), S. 149-152 
    Details
    ISSN: 1434-6079
    Keywords: PACS: 36.40.-c Atomic and molecular clusters – 31.15.-p Calculations and mathematical techniques in atomic and molecular physics – 71.15.-m Methods of electronic structure calculations
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract. We present the ionic geometries of Na9 + and Na55 + clusters obtained in the “cylindrically averaged pseudopotential scheme”. Our structures are tested by calculating photoabsorption spectra and comparing them to the experimentally measured ones. We employ a local pseudopotential that has been constructed to reproduce atomic and bulk properties of sodium. Comparing the results using different pseudopotentials, we find that the position of the dipole resonance is greatly influenced by details of the pseudopotentials, showing that these must be used consistently both in the geometry optimization and the calculation of the optic response.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s100530050416
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Triaxial shapes of sodium clusters (1995)
    Springer
    The European physical journal 34 (1995), S. 125-134 
    Details
    ISSN: 1434-6079
    Keywords: 36.40 ; 35.20.Wg ; 71.45.Nt
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A modified Nilsson-Clemenger model is combined with Strutinsky's shell correction method. For spherical clusters, the model potential is fitted to the single-particle spectra obtained from selfconsistent Kohn-Sham calculations. The deformation energy surfaces of sodium clusters with sizes of up toN=270 atoms are calculated for a combination of triaxial, quadrupole and hexadecapole deformations. The ground state shapes and energies are determined by simultaneous minimization with respect to the three shape parameters. A significant fraction of the clusters is predicted to be triaxial. The deviations from the axial shape do not generate any systematic odd-even staggering of the binding energies.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01439387
    Library Location Call Number Volume/Issue/Year Availability
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    Paper (German National Licenses)
    Fulltext
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