Kümmel, S. and Brack, Matthias and Reinhard, P.-G. (1998) Ionic structure and photoabsorption in medium-sized sodium clusters. PHYSICAL REVIEW B, 58 (4). R1774-R1777. ISSN 1098-0121, 1550-235X
Full text not available from this repository.Abstract
We present ground-state configurations and photoabsorption spectra of Na-7+, Na-27+, and Na-41+. Both the ionic structure and the photoabsorption spectra of medium-size sodium clusters beyond Na-20 have been calculated self-consistently with a nonspherical treatment of the valence electrons in density-functional theory. We use a local pseudopotential that has been adjusted to experimental bulk properties and the atomic 3s level of sodium. Our studies have shown that both the ionic structure of the ground state and the positions of the plasmon resonances depend sensitively on the pseudopotential used in the calculation, which stresses the importance of its consistent use in both steps.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | SELF-CONSISTENT CALCULATIONS; LOCAL-DENSITY APPROXIMATION; SIMPLE METAL-CLUSTERS; MOLECULAR-DYNAMICS; OPTICAL-RESPONSE; PSEUDOPOTENTIALS; MODEL; POLARIZABILITY; MICROCLUSTERS; PREDICTIONS |
| 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 Feb 2023 11:09 |
| Last Modified: | 23 Feb 2023 11:09 |
| URI: | https://pred.uni-regensburg.de/id/eprint/49672 |
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