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Updated: May 26, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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扰动性旋转轨道合器用于模拟扩展框架材料

Jan-Robert Vogt1, Jan Wilhelm2, Anna-Sophia Hehn1

  • 1Institute of Physical Chemistry, Christian-Albrechts-University Kiel, Max-Eyth-Strasse 1, 24118 Kiel, Germany.

The Journal of chemical physics
|February 25, 2025
PubMed
概括

本研究介绍了一种有效的计算方法,用于描述自旋禁止的光化学过程. 新方法准确计算材料中的激发能量和旋转轨道合效应.

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