t-

Anton V Leonov1,2, Eugeny Yu Epifanov1,3, Igor S Gerasimov1

  • 1N.D. Zelinsky Institute of Organic Chemistry of Russian Academy of Sciences, Leninsky prospect 47, 119991 Moscow, Russian Federation.

概括

由于数据有限,当前密度函数近似与两个电子密度相斗争. 将电子密度的拉普拉斯理论与机器学习相结合,可以克服量子化学中的这些局限性.

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