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Updated: Jul 23, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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在使用互补的能源景观的全球优化算法中生成候选者

Andreas Møller Slavensky1, Mads-Peter V Christiansen1, Bjørk Hammer1

  • 1Department of Physics and Astronomy, Center for Interstellar Catalysis, Aarhus University, DK-8000 Aarhus C, Denmark.

The Journal of chemical physics
|July 11, 2023
PubMed
概括

本研究介绍了互补的能量 (CE) 景观,以改善原子结构优化. 通过简化潜在能量表面 (PES),该方法有助于更有效地发现新的全球最低能量结构.

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