SIMPLE APPROACHES TO FULLERENES AND BUCKONIONS ELECTRONIC-STRUCTURE -GUTZWILLER AND SHELL-MODEL CALCULATIONS

The electronic structure of fullerenes and buckonions have been invest igated using quantum-mechanical methods: the Gutzwiller and shell-mode l techniques. In the first part, fullerenes have been modeled with the Hubbard Hamiltonian and the electronic correlation has been examined within the Gutzwiller framework. It has been derived various character istic energies of fullerenes (C-60 and C-240) in the free state (first and second ionization energies, electron affinity, and singlet and tr iplet energies). The second part deals with buckonions. Fullerenes and buckonions have been modeled with the spherical shell-model approach. The calculation has led to the electronic structure of fullerenes and of buckonions. So if we compare the energy levels of the buckonions w ith those of the fullerenes which build the buckonions, only the bucko nions energy levels coming from the outer shell are changed by the cou pling between shells.