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Updated: Jun 6, 2025

Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene
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Published on: August 22, 2017

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在2D周期系统中的电子相关性来自周期引导嵌入

Oinam Romesh Meitei1, Troy Van Voorhis1

  • 1Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.

The journal of physical chemistry letters
|November 25, 2024
PubMed
概括

引导式嵌入 (BE) 准确地预测2D材料中的电子相关性,回收~99.5%的能量. 这种方法精确计算了扭曲双层石墨烯的结构性质和电子相关性,显示了对2D材料模拟的希望.

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