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Updated: Jul 1, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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从使用高斯过程回归来插曲的四维ab initio潜在能量表面中取出He@C60的转换自态

K Panchagnula1, D Graf1, F E A Albertani1

  • 1Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridge, United Kingdom.

The Journal of chemical physics
|March 11, 2024
PubMed
概括

我们使用四维的潜在能量表面研究了3He@C60内充烯系统. 随机相近似 (RPA) 推作为一个有效的替代品,莫勒-普莱塞特扰动理论 (MP2) 对于这些计算.

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