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Updated: Jun 28, 2025

Three-Dimensional Particle Shape Analysis Using X-ray Computed Tomography: Experimental Procedure and Analysis Algorithms for Metal Powders
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斯莱特轨道基准集中的Kohn-Sham密度

Alan E Rask1,2, Liying Li3,4, Paul M Zimmerman2

  • 1SandboxAQ, 780 High Street, Palo Alto, California 94301, United States.

The journal of physical chemistry. A
|April 11, 2024
PubMed
概括

本研究介绍了一种方法,用有限的基础集来近似Kohn-Sham分子轨道. 该方法系统地平衡动能和密度差异,揭示了像LiH这样的分子中的电子结构效应.

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相关概念视频

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