Theoretical studies on one-, two- and three-dimensional carbon structures

This thesis deals with electronic structure calculations in large carbon based materials, Especially graphite like structures have been studied. For this the tight binding method together with more sophisticated quantum chemical methods has been utilised. The first part of this thesis provides a background to the theoretical models used in the papers. In paper one, single bonded fulleride polymers of all dimensions have been studied as a function of charge state. In paper two, the effect of vacancies in graphite is modelled within the tight binding formulation. In paper three, electron localization in quasi-one dimensional systems in the presence of disorder are investigated.