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.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.format.extent	430141 bytes
dc.format.mimetype	application/pdf
dc.language.iso	eng
dc.rights	Urheberrechtlich geschützt
dc.rights.uri	https://rightsstatements.org/page/InC/1.0/
dc.subject.ddc	530
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.
dc.description.et	Extern	ger
dc.subject.pacs	30.40	eng
dc.subject.pacs	71.30	eng
dc.subject.pacs	33.80E	eng