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Updated: Jun 22, 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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电子对应关系对分子系统与GW和合集群方法的电子声波相互作用的影响

Antonios M Alvertis1,2, David B Williams-Young3, Fabien Bruneval4

  • 1KBR, Inc., NASA Ames Research Center, Moffett Field, California 94035, United States.

Journal of chemical theory and computation
|July 2, 2024
PubMed
概括

准确描述电子 - 声子相互作用至关重要. 与密度函数理论相比,先进的方法,如ab initio GW和合集群计算,显示了与密度函数理论相比增强的电子声波合,提供了更准确和更具成本效益的方法.

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Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene08:44

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