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Updated: Jul 6, 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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使用离散相互作用模型/量子力学方法对分子激发状态的近场效应进行建模

Hepeng Ye1, Jeffrey C Becca1, Lasse Jensen1

  • 1Department of Chemistry, Pennsylvania State University, University Park, Pennsylvania 16802, USA.

The Journal of chemical physics
|January 4, 2024
PubMed
概括

这项研究引入了一种新的离散相互作用模型/量子力学 (DIM/QM) 方法,以准确地建模金属纳米粒子附近的轻物质相互作用. 这种先进的模型捕获了对理解分子光学性质变化至关重要的原子细节.

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