NONLOCAL DENSITY FUNCTIONAL CALCULATIONS OF BINDING-ENERGIES OF CARBON FULLERENES-CN, WITH N = 10, 12, 16, 20, 24, 28, 32, 36, 50, 60, 70, 80, 90, 100, 110 AND 120

Using a molecular orbital method based on the non-local density functional formalism, we have calculated the binding energies and HOMO-LUMO gaps of carbon fullerenes C(n), assuming that all bond lengths in each fullerene are the same. The results are as follows: (1) The fullerenes containing quadrilateral rings are less stable than those with only pentagonal and hexagonal rings. (2) With a larger number of hexagonal rings in a fullerene, the binding energy is larger. (3) C60, C70, C100, C90 and C32 have especially large HOMO-LUMO gaps and are expected to be less reactive.