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Updated: Jan 18, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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使用因数设计来计算第二次超极化性

Igors Mihailovs1,2,3, Ekaterina Belobrovko1,4, Arturs Bundulis1

  • 1Institute of Solid State Physics, University of Latvia, 8 Ķengaraga St., LV-1063 Riga, Latvia.

Nanomaterials (Basel, Switzerland)
|September 12, 2025
PubMed
概括

预测非线性光学材料的特性需要强大的计算方法. 这项研究揭示了区间分离混合密度函数的性能优于合集群方法,并提供了准确计算的指导方针.

关键词:
萨德勒-pVTZ的基础设置设置.完全因数设计的设计.非线性光学是一种非线性光学.第二个超极化性.

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