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Quantum charge transport and conformational dynamics of macromolecules
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10.1063/1.4722213
/content/aip/journal/jcp/136/21/10.1063/1.4722213
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/21/10.1063/1.4722213

Figures

Image of FIG. 1.
FIG. 1.

Time evolution of the charge density distribution in a frozen fully stretched polymer. The pictures in the upper-right corner represent the polymer conformation, the color of the backbone is proportional to the charge density.

Image of FIG. 2.
FIG. 2.

Time evolution of the charge density distribution in collapsing polymer. The pictures in the upper-right corner represent the polymer conformation, the color of the backbone is proportional to the charge density.

Image of FIG. 3.
FIG. 3.

Level spacing distribution for the tight-binding Hamiltonian, evaluated after 0.1 ns (upper panel) and after 1 ns (lower panel) in 48 independent Langevin trajectories.

Tables

Generic image for table
Table I.

Parameter of the Hamiltonian for the toy-model molecular wire.

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/content/aip/journal/jcp/136/21/10.1063/1.4722213
2012-06-07
2014-04-24
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Quantum charge transport and conformational dynamics of macromolecules
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/21/10.1063/1.4722213
10.1063/1.4722213
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