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Updated: Jul 5, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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开放边界的集群模型具有一个无参数的复杂吸收潜力的模型

Kosuke Imamura1, Tomokazu Yasuike2, Hirofumi Sato1,3

  • 1Department of Molecular Engineering, Graduate School of Engineering, Kyoto University, Kyoto 615-8510, Japan.

The Journal of chemical physics
|January 17, 2024
PubMed
概括

本研究介绍了量子化学中的开放边界集群模型 (OCM) 的无参数复合吸收潜力 (CAP). 这一进步可以准确地计算异质固体表面的电子结构,而无需进行复杂的优化.

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