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Updated: Jun 18, 2025

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GBasis:一个Python库用于评估用高斯基函数表达的函数,函数和积分.

Taewon David Kim1, Leila Pujal2, Michelle Richer2

  • 1Department of Chemistry & Chemical Biology, McMaster University, Hamilton, Ontario L8S-4L8, Canada.

The Journal of chemical physics
|July 30, 2024
PubMed
概括

GBasis是一个新的Python库,用于使用高斯基函数进行量子化学计算. 它提供了评估分子性质和积分的功能,重点是可用性和可持续发展.

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