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Joe Pitfield1, Florian Brix1, Zeyuan Tang1

  • 1Aarhus University, Center for Interstellar Catalysis, Department of Physics and Astronomy, DK-8000 Aarhus C, Denmark.

Physical review letters
|February 21, 2025
PubMed
概括

万能潜能提供了成本效益高的密度函数理论 (DFT) 计算. 微调这些潜能可以提高特定系统的准确性,使表面重建缺陷的研究成为可能.

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