Using 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.

Long-distance quantum transport dynamics in macromolecules

Schneider, Elia;Faccioli, Pietro
2014-01-01

Abstract

Using 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.
2014
Schneider, Elia; Faccioli, Pietro
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11572/69023
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