  In this paper we present a comprehensive ab initio study of polycyclic
hydrocarbons based dyes. The purpose of the work is to obtain electronic
properties of the materials which are supposed to be used in organic electronic
devices. The list of materials includes violanthrone (di-benzanthrone)
derivatives which are already known as industrial organic dyes. First, we have
obtained ground-state properties by performing ab initio eigenvalue calculation
within generalized gradient approximation (GGA). Then, Green's function method
has been used in order to obtain excited state properties. The exciton
eigenvalues, as well as imaginary part of dielectric function (DF) and density
of states (DOS), have been evaluated from the Bethe-Salpeter equation (BS). The
electronic properties obtained here are in good agreement with available
experimental data.
