结合神经网络方法和扩大训练基组构建新B3LYP泛函
张家虎, 王秀军
Neural Network Approach for a New B3LYP Functional with an Enlarged Training Set
ZHANG Jia-Hu, WANG Xiu-Jun
物理化学学报 . 2010, (01): 188 -192 .  DOI: 10.3866/PKU.WHXB20100116