Thermally driven polaron transport in conjugated polymers
We present a hybrid quantum-classical simulation of charge-polaron transport in conjugated polymers. The charge, which couples to the angular rotations of the monomers, is modeled via the time-dependent Schrödinger equation, while the monomers are treated classically via the Ehrenfest equations of m...
| Päätekijät: | , , |
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| Aineistotyyppi: | Journal article |
| Kieli: | English |
| Julkaistu: |
American Physical Society
2022
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