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Updated: Jan 17, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

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来自组合的粒子-孔和粒子-粒子附带连接与随机相近似的多参数动态关联能量

Aleksandra Tucholska1, Katarzyna Pernal2

  • 1J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Prague 8, Prague 18223, Czech Republic.

Journal of chemical theory and computation
|January 14, 2026
PubMed
概括

我们开发了一种新的附加电流连接 (AC) 框架,用于计算多参考系统中的电子相关能量. 结合 ffAC0 方法为各种化学挑战提供了高精度和高效率.

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