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Updated: Jul 16, 2025

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准确而高效地计算Hellmann-Feynman力,用于量子计算

Juntao Lai1, Yi Fan2, Qiang Fu1,2,3

  • 1School of Future Technology, University of Science and Technology of China, Hefei 230026, China.

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

本研究介绍了使用量子计算机上的变量量子eigensolver进行分析性原子力计算的方法. 这种精确的方法对小分子进行了验证,与量子化学模拟的传统技术相比,具有优势.

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