Mixed quantum-classical simulations of charge transport in organic materials: Numerical benchmark of the Su-Schrieffer-Heeger model
作者： Linjun Wang , David Beljonne , Liping Chen , Qiang Shi
DOI: 10.1063/1.3604561
关键词: Charge carrier 、 Molecular dynamics 、 Exciton 、 Time evolution 、 Quantum 、 Mathematical Operators 、 Electron mobility 、 Statistical physics 、 Hamiltonian (quantum mechanics) 、 Physics 、 Quantum mechanics
摘要: The electron-phonon coupling is critical in determining the intrinsic charge carrier and exciton transport properties in organic materials. In this study, we consider a Su-Schrieffer …
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