Thermally driven polaron transport in conjugated polymers

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...

Полное описание

Библиографические подробности
Главные авторы:	Berencei, L, Barford, W, Clark, SR
Формат:	Journal article
Язык:	English
Опубликовано:	American Physical Society 2022

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