Excitonic Effects in Low-dimensional Hydrocarbon Systems

We present a comprehensive ab initio study of polycyclic aromatic hydrocarbons electronic and optical properties. Density functional theory (DFT) have been used to perform geometry optimization. Ground-state properties have been obtained within Generalized Gradient Approximation (GGA). Excited properties are evaluated on base of the many-body Green’s function approaches. Firstly, we calculated HOM...