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Updated: Jul 28, 2025

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评估Thomas-Fermi-von Weizsäcker密度函数中的错误来源

Bishal Thapa1,2, Xin Jing3,4, John E Pask5

  • 1Department of Physics and Astronomy, George Mason University, Fairfax, Virginia 22030, USA.

The Journal of chemical physics
|June 1, 2023
PubMed
概括

托马斯 - 费米 - - 韦兹塞克 (TFW) 近似得出与科恩 - 沙姆DFT相比不准确的能量,尽管电子密度相似. 这个错误源于TFW对电子动能线性响应的表现不佳.

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