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Updated: Jul 14, 2025

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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半方位的Meta-GGA交换-关联近似从Adiabatic连接形式主义:范围和限制

Subrata Jana1, Szymon Śmiga2, Lucian A Constantin3

  • 1Department of Chemistry & Biochemistry, The Ohio State University, Columbus, Ohio 43210, United States.

The journal of physical chemistry. A
|October 9, 2023
PubMed
概括

这项研究将基连接半局部相关 (ACSC) 方法扩展到元泛化梯度近似,开发了一个新的TPSS-ACSC函数. 这个函数对准确地描述不同系统中的电子相关性有很大的希望.

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