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EnglishUsing renormalization group methods, we develop a rigorous coarse-grained representation of the dissipative dynamics of quantum excitations propagating inside open macromolecular systems. We show that, at very low spatial resolution, this quantum transport theory reduces to a modified Brownian process, in which quantum delocalization effects are accounted for by means of an effective term in the Onsager-Machlup functional. Using this formulation, we derive a simple analytic solution for the time-dependent probability of observing the quantum excitation at a given point in the macromolecule. This formula can be used to predict the migration of natural or charged quantum excitations in a variety of molecular systems, including biological and organic polymers, organic crystalline transistors, or photosynthetic complexes. For illustration purposes, we apply this method to investigate inelastic electronic hole transport in a long homo-DNA chain.
| Titolo: | Long-distance quantum transport dynamics in macromolecules | |
| Autori: | Schneider, Elia; Faccioli, Pietro | |
| Autori Unitn: | ||
| Titolo del periodico: | PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS | |
| Anno di pubblicazione: | 2014 | |
| Codice identificativo Scopus: | 2-s2.0-84899750079 | |
| Codice identificativo WOS: | WOS:000334119300001 | |
| Digital Object Identifier (DOI): | http://dx.doi.org/10.1103/PhysRevB.89.134305 | |
| Handle: | http://hdl.handle.net/11572/69023 | |
| Appare nelle tipologie: | 03.1 Articolo su rivista (Journal article) |
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