神经网络辅助分析空气-水界面的自由OH方向分布:高斯式还是指数式?

Hujun Shen1, Ling Chen1, Jiaxin Li1

  • 1Guizhou Provincial Key Laboratory of Computational Nano-Material Science, Guizhou Education University, Guiyang 550018, P. R. China.

概括

在空气-水界面上自由的O-H组的定向可以通过考虑两个状态来更好地解释:有序 (f-HOH-h) 和无序 (f-HOH-f). 顺序状态显著影响总频生成 (SFG) 信号,解决了长期以来的科学辩论.

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