Unrestricted hartree-fock calculation of the ionization potential of small Hg_n clusters
| dc.date.accessioned | 2008-06-30T12:37:23Z | |
| dc.date.available | 2008-06-30T12:37:23Z | |
| dc.date.issued | 1993 | |
| dc.description.et | Extern | ger |
| dc.format.extent | 430141 bytes | |
| dc.format.mimetype | application/pdf | |
| dc.identifier.issn | 0302-072X | |
| dc.identifier.issn | 0295-5075 | |
| dc.identifier.uri | urn:nbn:de:hebis:34-2008063022327 | |
| dc.identifier.uri | http://hdl.handle.net/123456789/2008063022327 | |
| dc.language.iso | eng | |
| dc.rights | Urheberrechtlich geschützt | |
| dc.rights.uri | https://rightsstatements.org/page/InC/1.0/ | |
| dc.subject.ddc | 530 | |
| dc.subject.pacs | 30.40 | eng |
| dc.subject.pacs | 71.30 | eng |
| dc.subject.pacs | 33.80E | eng |
| dc.title | Unrestricted hartree-fock calculation of the ionization potential of small Hg_n clusters | eng |
| dc.type | Aufsatz | |
| dcterms.abstract | The ionization potential of small Hg_n clusters has been calculated. For the first time good agreement with experimental results has been obtained. It is shown that interatomic Coulomb interactions are important. The energy of Hg_n^+ is calculated using the unrestricted inhomogeneous Hartree-Fock approximation. As a consequence of a change in the charge distribution in Hg_n^+ , we obtain an abrupt change in the slope of the ionization potential at the critical cluster size n_cr ~ 14. The presented results are expected to be valid for covalent clusters in between ionized van der Waals clusters and metallic clusters. | eng |
| dcterms.accessRights | open access | |
| dcterms.bibliographicCitation | Europhys. Lett., 21 (2), 177-182 (1993) | |
| dcterms.creator | Aligia, A. A. | |
| dcterms.creator | Garcia, Martin E. | |
| dcterms.creator | Bennemann, K. H. |