First-principles isomer-specific absorption spectra of Ag-11 (Articolo in rivista)

Type
Label
  • First-principles isomer-specific absorption spectra of Ag-11 (Articolo in rivista) (literal)
Anno
  • 2007-01-01T00:00:00+01:00 (literal)
Alternative label
  • Idrobo, JC; Ogut, S; Nemeth, K; Jellinek, J; Ferrando, R (2007)
    First-principles isomer-specific absorption spectra of Ag-11
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Idrobo, JC; Ogut, S; Nemeth, K; Jellinek, J; Ferrando, R (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 75 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Univ Illinois, Dept Phys, Chicago, IL 60607 USA; Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA; Univ Genoa, Dipartimento Fis, I-16146 Genoa, Italy; Univ Genoa, INFM, I-16146 Genoa, Italy (literal)
Titolo
  • First-principles isomer-specific absorption spectra of Ag-11 (literal)
Abstract
  • The atomic structures, static polarizabilities, and optical absorption spectra of eight low-energy isomers of Ag-11 are investigated from first principles within static and time-dependent density functional theory. The energies of all eight fall within a range of similar to 0.3 eV in width. It is the spectrum of the lowest-energy isomer that exhibits the best overall agreement with the available measured spectra. The analysis indicates that the d electrons play an important role in the optical excitations of Ag-11; the degree of their contribution to the spectra is larger than that found in smaller silver clusters. (literal)
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