Open Access

Table B.2

Energies (eV) of optical absorption bands of C70 fullerene at the TD-DFT(BLYP/pc-2) and TD-DFTB (reduced matrix) levels.

Raw Raw Corrected
1.95 2.02 1.93 1.91
2.27 2.22 2.19 2.16
2.62 2.78 2.68 2.65
3.24 3.15 3.02 2.98
3.70 3.65 3.82 3.77

Notes. Experimental values are from Bauernschmitt et al. (1998) and Smith (1996).

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