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Updated: Jan 18, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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在平面波电子结构计算中的库伦奇点校正:实现和基准测试

Yexuan Lin1, Sheng Chen1, Linhao Wang1

  • 1Hefei National Research Center for Physical Sciences at the Microscale, and Hefei National Laboratory, University of Science and Technology of China, Hefei, Anhui 230026, China.

The Journal of chemical physics
|January 16, 2026
PubMed
概括

研究人员开发了用于定期系统的电子结构计算中固定奇点的方法. 这提高了RPA和GW近似等先进计算技术的准确性和效率.

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