Enviar artigo por via de e-mail Energy spectrum of isomer no. 3 of C82 fullerene of C2 symmetry
- Autores: Kareev I.E.1, Bubnov V.P.1, Kotov A.I.1, Lobanov B.V.2, Murzashev A.I.2, Rumyantsev I.A.2
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Afiliações:
- Institute of Problems of Chemical Physics
- Mari State University
- Edição: Volume 59, Nº 1 (2017)
- Páginas: 209-215
- Seção: Fullerenes
- URL: https://bakhtiniada.ru/1063-7834/article/view/199593
- DOI: https://doi.org/10.1134/S1063783417010139
- ID: 199593
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Resumo
The energy spectrum of C82 fullerene (isomer no. 3 of C2 symmetry) is calculated within the Hubbard model in the approximation of static fluctuations. Based on the energy spectrum, optical absorption spectra of this isomer in neutral and anionic states with one, two, three, and four additional electrons are simulated. The calculated optical spectra in neutral and monoanionic states are compared with known experimental spectra.
Sobre autores
I. Kareev
Institute of Problems of Chemical Physics
Email: nanotubes59@mail.ru
Rússia, ul. Akademika Semenova 1, Moscow oblast, Chernogolovka, 142432
V. Bubnov
Institute of Problems of Chemical Physics
Email: nanotubes59@mail.ru
Rússia, ul. Akademika Semenova 1, Moscow oblast, Chernogolovka, 142432
A. Kotov
Institute of Problems of Chemical Physics
Email: nanotubes59@mail.ru
Rússia, ul. Akademika Semenova 1, Moscow oblast, Chernogolovka, 142432
B. Lobanov
Mari State University
Email: nanotubes59@mail.ru
Rússia, pl. Lenina 1, Yoshkar Ola, 424001
A. Murzashev
Mari State University
Autor responsável pela correspondência
Email: nanotubes59@mail.ru
Rússia, pl. Lenina 1, Yoshkar Ola, 424001
I. Rumyantsev
Mari State University
Email: nanotubes59@mail.ru
Rússia, pl. Lenina 1, Yoshkar Ola, 424001
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