泛函网络是类似于人工神经网络的新型网络模型，是泛函方程的网络表达形式。

Functional network is new network model. It is similar to artificial neural network and is network expression of functional equation.

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其次，采用人工神经网络方法（ANN）和扩大训练基组构建新B3LYP泛函，并将新泛函用于分子能量的计算。

Secondly, new B3LYP functional is constructed combined artificial neural network (ANN) with enlarged training set and the new B3LYP functional is adopted to calculate the molecular energies.

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