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JOURNALS // Optics and Spectroscopy // Archive

Optics and Spectroscopy, 2020 Volume 128, Issue 9, Pages 1238–1243 (Mi os296)

This article is cited 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

DOI: 10.21883/OS.2020.09.49858.41-20


 English version:
Optics and Spectroscopy, 2020, 128:9, 1350–1354

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© Steklov Math. Inst. of RAS, 2024