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We examine the effect of structural disorder and dynamical latticefluctuation on charge migration dynamics starting from a birth of local excitonin a quantum network of molecular aggregates by using model Hamiltonians havingcomplicate interactions. Here all monomers are supposed to be the same forsimplicity. A natural use of inherent sparsity of Hamiltonian matrix allows usan investigation of essential features in quantum network dynamics accompaniedwith a fluctuation of interaction. Variation of disorder parameter, kineticenergy and effective mass of monomers in electron dynamics calculation revealhow static disorder and dynamical fluctuation affects electron dynamics in alarge size of molecular aggregates. Disorder in aggregate structure suppresscharge separation while molecular motion can promote charge diffusion in casesof smaller mass. These findings are obtained by using a newly introducedformula for evaluating charge separation in molecular aggregates that is usefulfor other analysis involved with charge migration dynamics in molecular/atomaggregates. This work provides a way for obtaining a quantum mechanicaltime-dependent picture of diffusion and migration of exciton and charge densityin general molecular aggregates, which offers a fundamental understanding ofelectronic functionality of nanocomposites.

Role of disorder and fluctuation on charge migration dynamics in molecular aggregate with quantum mechanical network