Ghazi, Seyed Mohammad and De, Sandip and Kanhere, D. G. and Goedecker, Stefan. (2011) Density functional investigations on structural and electronic properties of anionic and neutral sodium clusters Na-N (N=40-147): comparison with the experimental photoelectron spectra. Journal of physics. Condensed matter, 23 (40). p. 405303.
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Official URL: https://edoc.unibas.ch/76329/
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Abstract
Density functional calculations have been carried out to obtain low energy equilibrium geometries of anionic and neutral sodium clusters over a wide range of sizes 40 <= N 41. The agreement between theory and experiment is good for almost all the clusters and the changes in the spectrum with size correlate very well with the changes in the shapes as observed in the evolutionary trend of the ground state geometries.
| Faculties and Departments: | 05 Faculty of Science > Departement Physik > Physik > Physik (Goedecker) |
|---|---|
| UniBasel Contributors: | Goedecker, Stefan |
| Item Type: | Article, refereed |
| Article Subtype: | Research Article |
| Publisher: | Institute of Physics Publishing |
| ISSN: | 0953-8984 |
| Note: | Publication type according to Uni Basel Research Database: Journal article |
| Identification Number: |
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| Last Modified: | 22 Apr 2020 12:22 |
| Deposited On: | 22 Apr 2020 12:22 |
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