ABSTRACT
We develop the calculation method of the second hyperpolarizability (γ) of nanostar dendritic systems using the quantum master equation approach. In the nanostar dendritic systems composed of three-state monomers, the multi-step exciton states are obtained by the dipole-dipole interactions, and the directional energy transport, i.e., exciton migration, from the periphery to the core is predicted to occur by the relaxation between exciton states originating in the exciton-phonon coupling. We examine the effects of the intermolcecular interaction and/or the exciton migration on the second hyperpolarizability (γ) for the nanostar dendritic systems. Further, the method for analysis of spatial contributions of excitons to γ is presented by partitioning the total γ into the one-exicton contributions. It turns out that the intermolecular interaction and/or relxation between exciton states are significantly affect the γ values of the nanostar dendritic systems.
