atomic bond,atomic link

By means of the improved electrostatic three-center model of diatomic bonds and its expressions for physical quantities, the relations between effective bond charge density, bond-stretching force constant and characteristic frequency are fitted.

本文应用修正的双原子键三中心静电模型及其有关物理参量表达式，拟合了有效键电荷稠度与键的力常数和特征频率之间的关系；建立了偶极矩、核四极矩偶合常数中的场梯度及晶体非线性光学系数的近似理论表达式。