Optical absorption spectra and geometric effects in higher fullerenes

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dc.creatorHarigaya, Kikuo
dc.date1996-01-04
dc.date1996-04-22
dc.date.accessioned2026-07-07T09:02:24Z
dc.date.available2026-07-07T09:02:24Z
dc.descriptionThe optical excitations in $\rug$ and higher fullerenes, including isomers of C$_{76}$, C$_{78}$, and C$_{84}$, are theoretically investigated. We use a tight binding model with long-range Coulomb interactions, treated by the Hartree-Fock and configuration-interaction methods. We find that the optical excitations in the energy region smaller than about 4 eV have most of their amplitudes at the pentagons. The oscillator strengths of projected absorption almost accord with those of the total absorption. When the projection is performed on each pentagon and pentagon dimers, the resultant spectrum in the low energy region is quite different from that of the total absorption. The spectral shapes of the total absorption are turned out to be determined mainly by the geometrical distributions of the pentagons in the fullerene structures.
dc.identifierhttps://arxiv.org/abs/cond-mat/9601010
dc.identifierhttp://arxiv.org/abs/cond-mat/9601010
dc.identifierJ. Phys.: Condens. Matter 8 (1996) 8057-8066
dc.identifierdoi:10.1088/0953-8984/8/42/023
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/148616
dc.subjectCondensed Matter
dc.subjectChemical Physics
dc.subjectMaterials Science
dc.titleOptical absorption spectra and geometric effects in higher fullerenes
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