The three-center electrostatic model of diatomic bonds

In this paper, a three-center electrostatic model of diatomic bonds was put forward, as well as four physical parameter expressions of effective bonding charges, which support this model. Thus, a semi-empirical method, used to quantitatively study some physical chemistry phenomena, was raised. With the upper method in the article, many theoretical formulas were deduced for such important physical parameters as bond moment, force constant, field gradient and nonlinear optical coefficient of crystals. The available calculated values of every physical parameter basically conformed to its measured magnitude on the condition that parameters were nonadjustable.