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Updated: Jun 16, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Published on: May 27, 2020

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张量列格式 运动的等级方程 形式主义:通过散射的霍尔斯坦模型在有机半导体中传输电荷

Hideaki Takahashi1, Raffaele Borrelli1

  • 1DISAFA, University of Torino, Grugliasco I10095, Italy.

Journal of chemical theory and computation
|August 17, 2024
PubMed
概括

在张量列车 (TT) 表示中的等级运动方程 (HEOM) 有效地模拟了有机半导体中的电荷转移. 这种量子方法准确地模拟了复杂的电子振动相互作用,用于先进的材料分析.

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