Excitons and Localized States in Nanosized Molecular Aggregates with Impurities

Abstract

The eigenvalues and eigenfunctions of excitons and localized states making up the spectrum of nanosized (number of sites <100) molecular chains with one and two impurity sites have been found from the solution of secular equations at an energy V of excited impurity states and their interaction energy W with neighboring sites (in a homogeneous chain, V = 0, W = 1). A method is proposed for determining the universal relations of energies, density of states, amplitude distributions, and localization lengths to V and W. It has been shown that the rates of tunneling and hopping between impurities located at different relative distances depend on band reorganization in the initial and transition states.