We study the effects of electronic correlations in the transport characteristics of this molecular junction made of the two-atom molecule connected to the noninteracting leads. We compare the results of two different approaches: (1) the spin unrestricted Hartree-Fock (UHF) method and (2) equation-of
Electronic transport in DNA sequences: The role of correlations and inter-strand coupling
β Scribed by E.L. Albuquerque; M.L. Lyra; F.A.B.F. de Moura
- Publisher
- Elsevier Science
- Year
- 2006
- Tongue
- English
- Weight
- 274 KB
- Volume
- 370
- Category
- Article
- ISSN
- 0378-4371
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β¦ Synopsis
We investigate the electronic properties in sequences of single and double-strand DNA molecules made up from the nucleotides guanine G, adenine A, cytosine C and thymine T. Using a tight-binding formulation we solve the timedependent Schro¨dinger equation to compute the spread of initially localized wave packets. We also compute the localization length in finite segments by employing a Green's function recursion method. We compare the results for the genomic DNA sequence with those of two artificial sequences, namely the quasiperiodic Rudin-Shapiro one, which has long-range correlations, and a intra-strand pair correlated DNA sequence. We found that the short-range character of the intra-strand correlations suffices for a quantitative description of the one-electron wave-packet dynamics in the doublestrand real DNA sequences. Further, the inter-strand coupling promotes electronic transport over a longer segment.
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