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Polarizability of silicon clusters
KTH, Superseded Departments, Biotechnology.ORCID iD: 0000-0002-1763-9383
2001 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 336, no 06-maj, 451-456 p.Article in journal (Refereed) Published
Abstract [en]

The polarizability of hydrogen-terminated silicon dusters derived from the silicon diamond-lattice structure was evaluated by linear response calculations. The dependences on cluster size and basis set were systematically investigated. A convergence in calculated polarizability per silicon atom toward the bulk value was found. Frequency-dependent polarizabilities were also addressed.

Place, publisher, year, edition, pages
2001. Vol. 336, no 06-maj, 451-456 p.
Keyword [en]
dynamic polarizabilities, molecular calculations, si clusters, basis-sets, implementation, atoms
Identifiers
URN: urn:nbn:se:kth:diva-20478ISI: 000167697200013OAI: oai:DiVA.org:kth-20478DiVA: diva2:339173
Note
QC 20100525Available from: 2010-08-10 Created: 2010-08-10Bibliographically approved

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Ågren, Hans

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