Abstract
Within the framework of Hubbard’s model using an approximation of static fluctuations, the energy spectrum of the π-electron subsystem of an icosahedral C80 fullerene isomer is obtained. Based on the energy spectrum, an optical absorption spectrum of metal-nitride complexes M3N@C80 (M = Gd, Tm, Dy) is simulated. It is quite consistent with the respective experimental spectrum.
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