We study the energy structure and the coherent transfer of an extra electron
or hole along aperiodic polymers made of N monomers, with fixed boundaries,
using B-DNA as our prototype system. We use a Tight-Binding wire model, where a
site is a monomer (e.g., in DNA, a base pair). We consider quasi-periodic
(Fibonacci, Thue-Morse, Double-Period, Rudin-Shapiro) and fractal (Cantor Set,
Asymmetric Cantor Set) polymers made of the same monomer (I polymers) or made
of different monomers (D polymers). For all types of such polymers, we
calculate the HOMO and LUMO eigenspectrum, the HOMO-LUMO gap and the density of
states. We examine the mean over time probability to find the carrier at each
monomer, the frequency content of carrier transfer (Fourier spectra, weighted
mean frequency of each monomer, total weighted mean frequency of the polymer),
and the pure mean transfer rate k. Our results reveal that there is a
correspondence between the degree of structural complexity and the transfer
properties. I polymers are more favorable for charge transfer than D polymers.
We compare k(N) of quasi-periodic and fractal sequences with that of periodic
sequences (including homopolymers) as well as with randomly shuffled sequences.
Finally, we discuss aspects of experimental results on charge transfer rates in
DNA with respect to our coherent pure mean transfer rates.Comment: 19 pages, 13 figures. arXiv admin note: text overlap with
arXiv:1808.0561
