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Updated: Jun 25, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

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电子合和局部和电荷转移激发之间的转换动力学来自多体格林函数理论

Gianluca Tirimbò1,2, Björn Baumeier1,2

  • 1Department of Mathematics and Computer Science, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven, The Netherlands.

Journal of chemical theory and computation
|May 21, 2024
PubMed
概括

我们使用GW-贝特-萨尔佩特方程理论探索了局部和电荷转移激发之间的电子合. 不同的方法对小型系统的合产生了最小的影响,但在大型,无序的有机材料中显示出差异.

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