A study of the induced dipole moments in Li+F- and Li+ … Ne

Abstract

The dipole moment functions of Li+F- and Li+ … Ne are considered within the framework of long-range intermolecular interaction theory. It is found that the long-range model does not give a satisfactory description of the induced dipole moment in Li+F-, presumably because of the electron overlap. However, for Li+ … Ne the model gives reasonable agreement with ab initio self-consistent field calculations of the dipole moments, from large separations down to the equilibrium internuclear distance, but the derivative of the induced dipole moment of Li+ … Ne with respect to displacement of the Ne atom along the internuclear axis gives less satisfactory agreement. The short-range overlap contributions to the induced dipole moment and its first derivative for Li+ … Ne are estimated.