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...
| Hlavní autoři: | , , |
|---|---|
| Médium: | Journal article |
| Jazyk: | English |
| Vydáno: |
American Physical Society
2022
|