THEORETICAL POTENTIAL FUNCTION REPRESENTED BY NETWORKS

The model of theoretical potential function represented by networks ha s been proposed. Quantum chemical ab initio method is used to calculat e the interionic potential of molten salt systems. The physical conten ts of network potential are indicated with Born-Mayer-Huggins empirica l potential functions, whose deviation from the theoretical potential owing to its approximation is corrected rising Lack propagation artifi cial neural networks (BP-ANN). Preliminary results have shown that the theoretical potential function networks are useful for the computer s imulations of molten salt systems.