Kapitanchuk O. Symmetry approaches in the studies of correlated multi-electron states of fullerene C60 and fullerides

The thesis is devoted to the systematic theoretical study of the effects of electron correlation, Coulomb interaction and electron-vibration interaction in C60 fullerenes and related materials accounting the icosahedral symmetry. The method of the calculation of C60 correlated electronic states was elaborated with full advantage of symmetry relations between two-electron integrals and matrix elements of the Hamiltonian. The role of Coulomb long-range interactions was found to be essential in formation of electronic properties of C60 ions; the possibility of partial electron transfer in A3C60 fullerides was proved. The profile of charges injected by external field in fullerite and non-complete degree of charge-localization on crystal surface were obtained.