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Updated: Jul 20, 2025

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在斯莱特轨道基础上交换来自完全配置相互作用的相关性潜力.

Soumi Tribedi1,2, Duy-Khoi Dang1, Bikash Kanungo3

  • 1Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, USA.

The Journal of chemical physics
|August 2, 2023
PubMed
概括

现在,Ryabinkin-Kohut-Staroverov (RKS) 理论将斯莱特原子轨道整合到精确的量子化学计算中. 这种新的SlaterRKS方法有效地产生交换相关性潜力,这对于密度函数理论至关重要,没有文物.

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