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Updated: Jan 9, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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相对论福克空间多参数合集群理论与一,两和三孔部门的完整代三次数

Alexander V Oleynichenko1,2, Andréi Zaitsevskii1,3

  • 1Petersburg Nuclear Physics Institute named by B. P. Konstantinov of National Research Centre "Kurchatov Institute," Orlova Roshcha 1, Gatchina, Leningradskaya Oblast 188300, Russia.

The Journal of chemical physics
|December 10, 2025
PubMed
概括

一种新的相对论福克空间合集群方法与三次激发 (FS-CCSDT) 提供了高精度的原子和分子计算. 这种先进的计算方法显著改善了对电离潜力和激发能量的预测.

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