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Updated: Jun 9, 2025

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"最好的"代配对集群三倍模型? 更多关于3CC的证据

Nakul K Teke1, Ajay Melekamburath1, Bimal Gaudel1

  • 1Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States.

The journal of physical chemistry. A
|October 31, 2024
PubMed
概括

3CC方法提供比标准CCSDT和CCSDT模型更准确的计算热化学. 这种方法为高精度的电子结构计算提供了具有成本效益的替代方案.

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