Datum
1993Metadata
Zur Langanzeige
Aufsatz
Unrestricted hartree-fock calculation of the ionization potential of small Hg_n clusters
Zusammenfassung
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.
Sammlung(en)
Publikationen (Theoretische Physik II - Theoretische Festkörper- und Ultrakurzzeitphysik)Zitieren
@article{urn:nbn:de:hebis:34-2008063022327,
author={Aligia, A. A. and Garcia, Martin E. and Bennemann, K. H.},
title={Unrestricted hartree-fock calculation of the ionization potential of small Hg_n clusters},
year={1993}
}
0500 Oax 0501 Text $btxt$2rdacontent 0502 Computermedien $bc$2rdacarrier 1100 1993$n1993 1500 1/eng 2050 ##0##urn:nbn:de:hebis:34-2008063022327 3000 Aligia, A. A. 3010 Garcia, Martin E. 3010 Bennemann, K. H. 4000 Unrestricted hartree-fock calculation of the ionization potential of small Hg_n clusters / Aligia, A. A. 4030 4060 Online-Ressource 4085 ##0##=u http://nbn-resolving.de/urn:nbn:de:hebis:34-2008063022327=x R 4204 \$dAufsatz 4170 7136 ##0##urn:nbn:de:hebis:34-2008063022327
<resource xsi:schemaLocation="http://datacite.org/schema/kernel-2.2 http://schema.datacite.org/meta/kernel-2.2/metadata.xsd"> 2008-06-30T12:37:23Z 2008-06-30T12:37:23Z 1993 0302-072X 0295-5075 urn:nbn:de:hebis:34-2008063022327 http://hdl.handle.net/123456789/2008063022327 430141 bytes application/pdf eng Urheberrechtlich geschützt https://rightsstatements.org/page/InC/1.0/ 530 Unrestricted hartree-fock calculation of the ionization potential of small Hg_n clusters Aufsatz 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. open access Europhys. Lett., 21 (2), 177-182 (1993) Aligia, A. A. Garcia, Martin E. Bennemann, K. H. Extern 30.40 71.30 33.80E </resource>
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