Shape isomerism in sodium clusters with 10≤Z≤44: Jellium model with quadrupole, octupole, and hexadecapole deformations

1995 ◽  
Vol 52 (7) ◽  
pp. 4775-4778 ◽  
Author(s):  
B. Montag ◽  
Th. Hirschmann ◽  
J. Meyer ◽  
P.-G. Reinhard ◽  
M. Brack
1994 ◽  
Vol 506 (5) ◽  
pp. 336-369 ◽  
Author(s):  
Th. Hirschmann ◽  
M. Brack ◽  
J. Meyer

1996 ◽  
Vol 03 (01) ◽  
pp. 229-233 ◽  
Author(s):  
TH. HIRSCHMANN ◽  
M. BRACK ◽  
B. MONTAG ◽  
P.-G. REINHARD ◽  
J. MEYER

Multidimensional deformation energy surfaces of singly charged sodium clusters with 8≤ Z ≤50 valence electrons have been calculated including quadrupole, octupole, and hexadecapole shapes for the ionic background. We solve the Kohn-Sham equations in the local-density approximation with preserved axial symmetry on a two-dimensional lattice. In addition to the diffusivity of the jellium surface, the structure-averaged jellium model (SAJM) which yields the empirical bulk properties and surface tension of sodium is successfully applied to deformed systems. Discussing the systematics of shape transitions, we find good agreement with recent experimental dipole resonance splittings found in the photoabsorption cross sections and confirm the oblate shape of the first neighboring clusters above the closed 2p shell ( Z =40) provided that left-right asymmetry is enabled.


1991 ◽  
Vol 19 (1-4) ◽  
pp. 113-115 ◽  
Author(s):  
T. Lange ◽  
H. G�hlich ◽  
T. Bergmann ◽  
T. P. Martin

1996 ◽  
Vol 03 (01) ◽  
pp. 25-29 ◽  
Author(s):  
S.M. REIMANN ◽  
S. FRAUENDORF

Combining a modified Nilsson-Clemenger model with the shell-correction method, the potential-energy surfaces of sodium clusters with sizes of up to N = 200 atoms 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.


2019 ◽  
Vol 7 ◽  
pp. 63
Author(s):  
M. E. Grypeos ◽  
B. A. Kotsos

The harmonic oscillator energy level spacing Κω for atomic clusters as a function of the particle number Ν is expressed analytically in terms of the parameters of a Woods-Saxon (or Symmetrized Woods-Saxon) potential which approximates the effective spherical self-consistent jellium model potential. The expressions derived depend an the particular scheme adopted to approximate the potential by the harmonic oscillator one and on the assumed dependence of the potential radius R on N. It is also observed, considering the case of sodium clusters,that for large Ν the expressions of Ηω are in good agreement with the well known expression of Ηω in terms of the Wigner-Seitz radius.


2020 ◽  
Vol 4 ◽  
pp. 75
Author(s):  
B. A. Kotsos ◽  
M. E. Grypeos

The effective radial electronic potentials for neutral sodium clus­ters determined by the local density approximation and the jellium model are parametrized by means οf (symmetrized) Woods-Saxon and "Wine-Bottle" symmetrized Woods-Saxon potentials. The potential parameters are deter­ mined by various least-squares fitting procedures. Particular attention is paid to the dependence of the radius parameter R on the particle number Ν and it is realized that for relatively smaller values of N, complex expressions of R as a function of N, are more appropriate than the standard one R = r_0N^{1/3}. It is also found that improved results in these cases are obtained with an expression, of the form R = r_0N^{1/3} + 6, which is still very simple.


2020 ◽  
Vol 5 ◽  
pp. 57
Author(s):  
B. A. Kotsos ◽  
M. E. Grypeos

The effective radial electronic potentials for neutral sodium clusters, which were determined by Ekardt on the basis of the local density approximation and the jellium model, are parametrized by means of the (symmetrized) Woods-Saxon and "Wine-Bottle" symmetrized Woods-Saxon potentials with the aim of investigating the dependence of size and energy quantities on the cluster particle number. The potential parameters are determined by vari­ous least-squares fitting procedures. It is found that for the radius R of the above potentials, complex expressions are more appropriate than the stan­dard one R = r0N^{1/3} for relatively small values of N. Furthermore, N-power expansions are derived for those complex expressions of R, as well as for the r.m.s. radius of the potential. It is also found that improved results in these cases are obtained with an expression of the form R = r0N^{1/3}+b, which is still very simple. There is also investigated the variation of energy quan­tities, such as the single particle energies of the 1s and 1p states, the level spacing |E1p-E1s| and the average energy level spacing, with respect to the particle number N. Expressions for the first three of these quantities with N-dependent terms of the form aN^{2/3} + βΝ^{-1} give good results.


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