CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 1996, Vol. 13 ›› Issue (2): 243-248.

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DETERMINATION OF THE BOND LENGTH OF DIATOMIC MOLECULE BY USING NEURAL NETWORK APPROACH

He liming1, Chen Kongchang2   

  1. 1. Department of Physics, East China University of Science and Technology, Shanghai 200237;
    2. Institute of Fine Chemicals, East China University of Science and Technology, Shanghai 200237
  • Received:1994-10-10 Online:1996-06-25 Published:1996-06-25

Abstract: By using the back-propagation (BP) model of neural network,the bond length of diatomic molecule is determinated.Slater atomic radius,Pauling electronegativity,major group and cycle numbers of the periodic table,etc.,are used as features.The calculated and predicted results of neural network appear to be better than those of reported calculations.

Key words: neural network, diatomic molecule, bond length, electronegativity, features

CLC Number: