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Updated: Jul 16, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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在辅助玻色基态上对扩散蒙特卡洛的激发光谱的评估

Fernando A Reboredo1, Paul R C Kent2, Jaron T Krogel1

  • 1Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA.

The Journal of chemical physics
|September 19, 2023
PubMed
概括

本研究引入了一种改进的变量蒙特卡洛 (VMC) 方法来计算电子刺激. 与现有方法相比,新的辅助玻色子 (AB) 方法提高了准确性,并降低了基准要求.

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