Email this article Energy spectrum of isomer no. 3 of C82 fullerene of C2 symmetry
- Authors: 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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Affiliations:
- Institute of Problems of Chemical Physics
- Mari State University
- Issue: Vol 59, No 1 (2017)
- Pages: 209-215
- Section: Fullerenes
- URL: https://journals.rcsi.science/1063-7834/article/view/199593
- DOI: https://doi.org/10.1134/S1063783417010139
- ID: 199593
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Abstract
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.
About the authors
I. E. Kareev
Institute of Problems of Chemical Physics
Email: nanotubes59@mail.ru
Russian Federation, ul. Akademika Semenova 1, Moscow oblast, Chernogolovka, 142432
V. P. Bubnov
Institute of Problems of Chemical Physics
Email: nanotubes59@mail.ru
Russian Federation, ul. Akademika Semenova 1, Moscow oblast, Chernogolovka, 142432
A. I. Kotov
Institute of Problems of Chemical Physics
Email: nanotubes59@mail.ru
Russian Federation, ul. Akademika Semenova 1, Moscow oblast, Chernogolovka, 142432
B. V. Lobanov
Mari State University
Email: nanotubes59@mail.ru
Russian Federation, pl. Lenina 1, Yoshkar Ola, 424001
A. I. Murzashev
Mari State University
Author for correspondence.
Email: nanotubes59@mail.ru
Russian Federation, pl. Lenina 1, Yoshkar Ola, 424001
I. A. Rumyantsev
Mari State University
Email: nanotubes59@mail.ru
Russian Federation, pl. Lenina 1, Yoshkar Ola, 424001
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