HIRSCHMANN, T and BRACK, M and MEYER, J (1994) SPHEROIDALLY DEFORMED SODIUM CLUSTERS IN THE SELFCONSISTENT JELLIUM MODEL. ANNALEN DER PHYSIK, 3 (5). pp. 336-369. ISSN 0003-3804, 1521-3889
Full text not available from this repository.Abstract
We present the first systematic study of potential energy curves and prolate-oblate shape transitions of sodium clusters with 8<N<40 atoms. The Kohn-Sham equations are solved in the local density approximation for the jellium model with spheroidal deformations. The ionic background density is taken to have a diffuse surface of Woods-Saxon type. The quadrupole and hexadecupole moments of the electron and jellium densities are investigated, revealing a strong hexadecupole dependence for selected clusters. Collective dipole resonances are described in the simple surface plasmon model. Shape transitions are found to occur at particle numbers 12-14 (prolate-oblate), 18-20-22 (oblate-spherical-prolate) and 30-32 (prolate-oblate), which are in good agreement with experimental results; triaxiality is predicted for Na-36. Comparing our results with those of molecular dynamics calculations, we confirm the scheme of Kohn-Sham levels and the gross behaviour of potentials and densities.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | LOCAL-DENSITY APPROXIMATION; ELECTRONIC SHELL STRUCTURE; SMALL METAL PARTICLES; MOLECULAR-DYNAMICS; NA CLUSTERS; SYSTEMS; EXCHANGE; MICROCLUSTERS; SUPERSHELLS; EXCITATIONS; METAL CLUSTERS; SPHEROIDAL JELLIUM MODEL; DEFORMATION ENERGY |
| Depositing User: | Dr. Gernot Deinzer |
| Last Modified: | 19 Oct 2022 08:41 |
| URI: | https://pred.uni-regensburg.de/id/eprint/53523 |
Actions (login required)
 |
View Item |
