GENZKEN, O and BRACK, M (1991) TEMPERATURE-DEPENDENCE OF SUPERSHELLS IN LARGE SODIUM CLUSTERS. PHYSICAL REVIEW LETTERS, 67 (23). pp. 3286-3289. ISSN 0031-9007,
Full text not available from this repository.Abstract
We present self-consistent calculations of the electronic shell and supershell structure of sodium clusters with up to N approximately 1600 atoms at finite temperatures and N approximately 2800 at zero temperature, employing the spherical jellium model in the local-density approximation and numerically solving the Kohn-Sham equations. The finite temperature of the valence electrons is included by treating them as a canonical subsystem embedded in the heat bath of the ions. We present sensitive quantities for the effects of temperature and self-consistency upon the supershell structure and compare our results with recent experiments and former calculations based on phenomenological mean-field potentials.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | DENSITY FUNCTIONAL FORMALISM; ELECTRONIC SHELL STRUCTURE; METAL-CLUSTERS; |
| Depositing User: | Dr. Gernot Deinzer |
| Last Modified: | 19 Oct 2022 08:46 |
| URI: | https://pred.uni-regensburg.de/id/eprint/54770 |
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