Отправить статью по E-mail Energy spectrum of isomer no. 3 of C82 fullerene of C2 symmetry
- Авторы: 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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Учреждения:
- Institute of Problems of Chemical Physics
- Mari State University
- Выпуск: Том 59, № 1 (2017)
- Страницы: 209-215
- Раздел: Fullerenes
- URL: https://ogarev-online.ru/1063-7834/article/view/199593
- DOI: https://doi.org/10.1134/S1063783417010139
- ID: 199593
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Аннотация
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.
Об авторах
I. Kareev
Institute of Problems of Chemical Physics
Email: nanotubes59@mail.ru
Россия, ul. Akademika Semenova 1, Moscow oblast, Chernogolovka, 142432
V. Bubnov
Institute of Problems of Chemical Physics
Email: nanotubes59@mail.ru
Россия, ul. Akademika Semenova 1, Moscow oblast, Chernogolovka, 142432
A. Kotov
Institute of Problems of Chemical Physics
Email: nanotubes59@mail.ru
Россия, ul. Akademika Semenova 1, Moscow oblast, Chernogolovka, 142432
B. Lobanov
Mari State University
Email: nanotubes59@mail.ru
Россия, pl. Lenina 1, Yoshkar Ola, 424001
A. Murzashev
Mari State University
Автор, ответственный за переписку.
Email: nanotubes59@mail.ru
Россия, pl. Lenina 1, Yoshkar Ola, 424001
I. Rumyantsev
Mari State University
Email: nanotubes59@mail.ru
Россия, pl. Lenina 1, Yoshkar Ola, 424001
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