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Updated: Jan 14, 2026

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对于非实证紧密结合理论的自相一致方程.

Alexander V Mironenko1,2, Lanie Leung1, Jiqing Zhuang1

  • 1Department of Chemical and Biomolecular Engineering, University of Illinois Urbana-Champaign, Urbana, Illinois 61820, USA.

The Journal of chemical physics
|October 24, 2025
PubMed
概括

密度函数理论 (DFT) 的新型独立原子替代品提供了精确的电子密度表示. 这种方法简化了计算,准确地预测了分子特性和键解离能.

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