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Updated: Jun 24, 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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替代CNDOL Fockians用于快速准确地描述分子激发子特性

Luis A Montero-Cabrera1,2, Ana L Montero-Alejo3, Alan Aspuru-Guzik4

  • 1Laboratorio de Química Computacional y Teórica, Departamento de Química Física, Universidad de La Habana, 10400 Havana, Cuba.

The Journal of chemical physics
|June 3, 2024
PubMed
概括

这项研究引入了一种新方法,使用近似的Fockians对分子波函数来建模激发性质. 这种方法准确地预测了激子的结合能量,有助于设计分子光伏设备.

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Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene

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