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Updated: Jul 17, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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自然光学活动从密度-功能性扰动理论

Asier Zabalo1, Massimiliano Stengel1,2

  • 1Institut de Ciència de Materials de Barcelona (ICMAB-CSIC), Campus UAB, 08193 Bellaterra, Spain.

Physical review letters
|September 8, 2023
PubMed
概括

本研究介绍了一种有效的计算方法来计算自然光学活动. 新的方法准确地预测了奇拉分子和晶体的光学特性,与实验数据保持一致.

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