The energy spectra of five fullerene C76 isomers are calculated for the Hubbard model in the static fluctuation approximation. Based on the spectra obtained, the optical absorption spectra of pure fullerene C76 represented by the isomer of symmetry D2 and endohedral Lu2@C76, Sm@C76, and DySc2N@C76 metal complexes are calculated. The calculated optical absorption spectra agree qualitatively well with the available experimental data, thereby indicating a need to consider the strong Coulomb interactions in the study of the π-electron fullerene subsystem.
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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 7, pp. 109–120, July, 2016.
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Lebedev, Y.A., Lobanov, B.V. & Murzashev, A.I. Energy Spectrum and Optical Absorption Spectra of Fullerene C76 Isomers and Endohedral Metal Complexes on Their Basis Within the Limits of the Concept of a Strongly Correlated State. Russ Phys J 59, 1037–1051 (2016). https://doi.org/10.1007/s11182-016-0870-0
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DOI: https://doi.org/10.1007/s11182-016-0870-0