Kuemmel, Stephan and Brack, Matthias and Reinhard, P. G. (2000) Ionic and electronic structure of sodium clusters up to N=59. PHYSICAL REVIEW B, 62 (11). pp. 7602-7613. ISSN 1098-0121, 1550-235X
Full text not available from this repository. (Request a copy)Abstract
We determined the ionic and electronic structures of sodium clusters with even electron numbers and 2 to 59 atoms in axially averaged and three-dimensional density functional calculations. A local, phenomenological pseudopotential that reproduces important bulk and atomic properties and facilitates structure calculations has been developed. Photoabsorption spectra have been calculated for Na-2, Na-8, and Na-9(+) to Na-59(+). The consistent inclusion of ionic structure considerably improves agreement with experiment. An icosahedral growth pattern is observed for Na-19(+) to Na-59(+). This finding is supported by photoabsorption data.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | LOCAL-DENSITY APPROXIMATION; ALKALI-METAL CLUSTERS; ABINITIO CONFIGURATION-INTERACTION; CONSISTENT JELLIUM MODEL; OPTICAL-RESPONSE; PHOTOABSORPTION SPECTRA; TEMPERATURE-DEPENDENCE; MOLECULAR-DYNAMICS; SHELL STRUCTURE; PSEUDOPOTENTIALS; |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics > Alumni or Retired Professors > Group Matthias Brack |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 23 Mar 2022 09:29 |
| Last Modified: | 23 Mar 2022 09:29 |
| URI: | https://pred.uni-regensburg.de/id/eprint/42205 |
Actions (login required)
 |
View Item |
