Bao, Kuo and Goedecker, Stefan and Koga, Kenji and Lancon, Frederic and Neelov, Alexey. (2009) Structure of large gold clusters obtained by global optimization using the minima hopping method. Physical Review B, Vol. 79, H. 4 , 041405, 4 S..
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Official URL: http://edoc.unibas.ch/dok/A5251776
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Abstract
The energetic ground state of gold clusters with up to 318 atoms consists of complex geometries that have only a limited resemblance to the perfect icosahedra, decahedra, and octahedra that are encountered for some magic numbers. The structure changes in most cases completely by the addition of a single atom. Other low-energy structures are so close in energy that their Boltzmann weight is not negligible at room temperature.
| 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: | American Institute of Physics |
| ISSN: | 0163-1829 |
| Note: | Publication type according to Uni Basel Research Database: Journal article |
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| Identification Number: | |
| Last Modified: | 22 Mar 2012 14:25 |
| Deposited On: | 22 Mar 2012 13:49 |
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