Abstract
The formation of polaron and its migration in a DNA chain are studied within asemiclassical Peyrard–Bishop–Holstein polaron model. Comparing the energetics of thepolaron system found from the quantum-chemical and semiclassical calculations,we extract the charge–phonon coupling constant for poly-DNA sequences. Thecoupling constant is found to be larger for G–C than for the A–T pairs. With thiscoupling constant we study tunneling in DNA. The rates and the nature of tunnelinghave strong dependence on the DNA sequence. By changing the trap positions inthe molecular bridge the tunneling rate can be varied by up to seven orders ofmagnitude.
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