POTENTIAL-ENERGY SURFACES OF SODIUM CLUSTERS WITH QUADRUPOLE, HEXADECAPOLE, AND TRIAXIAL DEFORMATIONS

S.M. Reimann and S. Frauendorf
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S.M. Reimann: Institut für Theoretische Physik, Universität Regensburg, D-93040 Regensburg, Germany
S. Frauendorf: Institut für Kern- und Hadronenphysik, Forschungszentrum Rossendorf e. V., PF 510119, 01314 Dresden, Germany

Surface Review and Letters (SRL), 1996, vol. 03, issue 01, 25-29

Abstract: Combining a modified Nilsson-Clemenger model with the shell-correction method, the potential-energy surfaces of sodium clusters with sizes of up toN = 200atoms are calculated, including nonaxial deformations. For spherical clusters, the model potential is fitted to the single-particle spectra obtained from microscopically self-consistent Kohn-Sham calculations using the jellium model and the localdensity approximation. Employing the Strutinsky shell-correction method, the surface energy of the jellium model is renormalized to its experimental value. The ground-state shapes are determined by simultaneous minimization of the deformation energies for quadrupole, hexadecapole, and triaxial cluster deformations.

Date: 1996
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DOI: 10.1142/S0218625X96000073

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