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Updated: Jun 16, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Published on: April 8, 2020

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重新规范化的内部合同的多重引用合集群与扰乱的三倍数

Robin Feldmann1, Markus Reiher1

  • 1Department of Chemistry and Applied Biosciences, ETH Zürich,, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland.

Journal of chemical theory and computation
|August 19, 2024
PubMed
概括

本研究引入了重新规范化的内部合约多引用合集群 (ric-MRCC) 方法,结合了DSRG和ic-MRCC理论. 新方法为复杂的分子系统提供了准确的计算,并提高了计算效率.

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