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Updated: Jun 11, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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在分子中的原子核中,准确的交换相关性潜力是否是连续的?

Conrad C Moore1, Viktor N Staroverov1

  • 1Department of Chemistry, The University of Western Ontario, London, Ontario N6A 5B7, Canada.

Journal of chemical theory and computation
|October 1, 2024
PubMed
概括

分子中的确切交换-关联潜力是连续的,尽管在原子核附近有不连续性的初步迹象. 这一发现解决了电子结构计算中的一个令人惊的理论难题.

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