Abstract:

We study the frequency content of an extra carrier oscillation along B-DNA aperiodic and periodic polymers and oligomers made of N monomers. In our work, we employ two variants of the Tight-Binding (TB) approach: a wire model and an extended ladder model including diagonal hoppings, as well as Real-Time Time-Dependent Density Functional Theory (RT-TDDFT). In the wire model, the site is a monomer, i.e., a base pair, while, in the extended ladder model, the site is a base. Initially, we focus on the Fourier Spectra of the probabilities to find the extra carrier at each monomer, having placed it at time zero at a specific monomer. We define the weighted mean frequency (WMF) of each site, a measure of its frequency content, using as weight the Fourier amplitude of each component of its frequency spectrum. The large-N limits of the WMFs are constants in the THz domain. To obtain a measure of the overall frequency content of carrier oscillations in the polymer, we define the total weighted mean frequency (TWMF), averaging the WMFs of all sites weighting over the mean over time probabilities of finding the extra carrier at each site. The large-N limit of the TWMFs are also constants in the THz domain. Generally, the frequency content of coherent carrier oscillations along B-DNA aperiodic and periodic polymers is in the THz domain.

Notes:

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