| Autor: |
Tassi, M., Morphis, A., Lambropoulos, K., Simserides, C. |
| Rok vydání: |
2017 |
| Předmět: |
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| Zdroj: |
Cogent Physics (2017) 4 (1), 1361077 |
| Druh dokumentu: |
Working Paper |
| DOI: |
10.1080/23311940.2017.1361077 |
| Popis: |
We employ Real-Time Time-Dependent Density Functional Theory to study hole oscillations within a B-DNA monomer (one base pair) or dimer (two base pairs). Placing the hole initially at any of the bases which make up a base pair, results in THz oscillations, albeit of negligible amplitude. Placing the hole initially at any of the base pairs which make up a dimer is more interesting: For dimers made of identical monomers, we predict oscillations with frequencies in the range $f \approx$ 20-80 THz, with a maximum transfer percentage close to 1. For dimers made of different monomers, $f \approx$ 80-400 THz, but with very small or small maximum transfer percentage. We compare our results with those obtained recently via our Tight-Binding approaches and find that they are in good agreement. |
| Databáze: |
arXiv |
| Externí odkaz: |
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