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Updated: Jul 1, 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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单个振幅在ADC(2) 和CC2中对低电子激发状态的单个振幅的作用

Niklas Sülzner1, Christof Hättig1

  • 1Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, 44780 Bochum, Germany.

Journal of chemical theory and computation
|March 7, 2024
PubMed
概括

配对集群与双重 (CC2) 和代数图形构造 (ADC(2) 方法对具有强配置混合的分子显示偏差. 这项研究分析了solvatochromic染料中的这些差异,揭示了受激发能量和环境影响的显著差异.

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Photoelectron Imaging of Anions Illustrated by 310 Nm Detachment of F−06:53

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