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Optical excitations of gold nanoparticles: A quantum chemical scalar relativistic time dependent density functional study (Articolo in rivista)
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- Label
- Optical excitations of gold nanoparticles: A quantum chemical scalar relativistic time dependent density functional study (Articolo in rivista) (literal)
- Anno
- 2007-01-01T00:00:00+01:00 (literal)
- Alternative label
Stener, M; Nardelli, A; De Francesco, R; Fronzoni, G (2007)
Optical excitations of gold nanoparticles: A quantum chemical scalar relativistic time dependent density functional study
in Journal of physical chemistry. C
(literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Stener, M; Nardelli, A; De Francesco, R; Fronzoni, G (literal)
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- ISI Web of Science (WOS) (literal)
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- Univ Trieste, Dipartimento Sci Chim, I-34127 Trieste, Italy; Univ Trieste, Consorzio Interuniv Nazl Sci Tecnol Mat, Trieste, Italy; INFM, DEMOCRITOS Natl Simulat Ctr, Trieste, Italy (literal)
- Titolo
- Optical excitations of gold nanoparticles: A quantum chemical scalar relativistic time dependent density functional study (literal)
- Abstract
- The valence optical excitation spectra of the gold clusters series Au-6(4+), Au-44(4+), and Au-146(2+) have been calculated at the scalar relativistic time dependent density functional theory level. Optical spectra have been calculated at the optimized geometries, the electronic structure has been described in terms of density of states, and optical spectra have been discussed in terms of electronic structure features. The well-known blue shift with decreasing cluster size has been successfully predicted by the theory. (literal)
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