J Phys Condens Matter. 2015 Jan 28;27(3):035104. doi: 10.1088/0953-8984/27/3/035104.

Sales MO, Lyra ML, de Moura FA, Fulco UL, Albuquerque EL.

We investigate the electronic wavepacket dynamics in a finite segment of a DNA single-strand chain considering the electron-phonon coupling. Our theoretical approach makes use of an effective tight-binding Hamiltonian to describe the electron dynamics, together with a classical harmonic Hamiltonian to treat the intrinsic DNA vibrations. An effective time-dependent Schrödinger equation is then settled up and solved numerically for an initially localized wave-packet using the standard Dormand-Prince eighth-order Runge-Kutta method. Our numerical results indicate the presence of a sub-diffusive electronic wavepacket spread mediated by the electron-phonon interaction.

 

http://www.ncbi.nlm.nih.gov/pubmed/25564495