Photoabsorption spectra of icosahedral fullerenes: A semiempirical approach

2002 
A semiempirical model has been used to predict the electronic photoabsorption spectra of five icosahedral fullerenes in the range C60–C720. The model parameters are first fixed in C60 by fitting its calculated spectrum to the available experimental data, and then conveniently adjusted to describe the larger fullerenes. The structures observed in the calculated spectra show a tendency to smooth π and σ plasmons as the fullerene size increases; however other finite-size features related to the particular geometry of these molecules are still visible at higher resolution. Some consequences of the strong electron screening effects on these spectra are discussed.
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