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This article is cited in 2 scientific papers (total in 2 papers)
Spectroscopy and physics of atoms and molecules
Electronic structure and optical absorption of fullerenes as strong related systems using the C$_{96}(C_{2})$ molecule as an example
A. I. Murzashev, M. Yu. Kokurin, S. K. Paĭmerov Mari State University, Ioshkar-Ola
Abstract:
Taking into account the intrasite Coulomb interaction with the parameter $U\sim$ 10 eV in the approximation of static fluctuations, the energy spectrum of the isomer N 181 $(C_2)$ of the C96 fullerene is calculated, based on which its optical absorption spectrum is modeled. The obtained curve of the optical absorption spectrum at a good qualitative level coincides with the experimental curve. The same curve obtained in the framework of the traditional model without taking into account the intranode Coulomb interaction differs significantly from the experimental curve.
Keywords:
fullerene, energy spectrum, optical absorption spectrum, $\pi$ electron, Hubbard subband, optical transitions.
Received: 10.02.2020 Revised: 10.04.2020 Accepted: 04.05.2020
Citation:
A. I. Murzashev, M. Yu. Kokurin, S. K. Paǐmerov, “Electronic structure and optical absorption of fullerenes as strong related systems using the C$_{96}(C_{2})$ molecule as an example”, Optics and Spectroscopy, 128:9 (2020), 1238–1243; Optics and Spectroscopy, 128:9 (2020), 1350–1354
Linking options:
https://www.mathnet.ru/eng/os296 https://www.mathnet.ru/eng/os/v128/i9/p1238
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