Linked Life Data

11290255

Source:http://linkedlifedata.com/resource/pubmed/id/11290255

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
9
pubmed:dateCreated
2001-4-6
pubmed:abstractText
The optical absorption spectra of Si(n)H(m) nanoclusters up to approximately 250 atoms are computed using a linear response theory within the time-dependent local density approximation (TDLDA). The TDLDA formalism allows the electronic screening and correlation effects, which determine exciton binding energies, to be naturally incorporated within an ab initio framework. We find the calculated excitation energies and optical absorption gaps to be in good agreement with experiment in the limit of both small and large clusters. The TDLDA absorption spectra exhibit substantial blueshifts with respect to the spectra obtained within the time-independent local density approximation.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
Feb
pubmed:issn
0031-9007
pubmed:author
pubmed:issnType
Print
pubmed:day
26
pubmed:volume
86
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
1813-6
pubmed:dateRevised
2003-10-31
pubmed:year
2001
pubmed:articleTitle
Ab initio absorption spectra and optical gaps in nanocrystalline silicon.
pubmed:affiliation
Department of Chemical Engineering and Materials Science, Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455, USA.
pubmed:publicationType
Journal Article