A STUDY OF THE INDUCED DIPOLE-MOMENTS IN LI- AND LI+ ... NE(F)

The dipole moment functions of Li+F- and Li+...Ne are considered withi n the framework of long-range intermolecular interaction theory. It is found that the long-range model does not give a satisfactory descript ion of the induced dipole moment in Li+F-, presumably because of the e lectron overlap. However, for Li+...Ne the model gives reasonable agre ement with ab initio self-consistent field calculations of the dipole moments, from large separations down to the equilibrium internuclear d istance, but the derivative of the induced dipole moment of Li+...Ne w ith respect to displacement of the Ne atom along the internuclear axis gives less satisfactory agreement. The short-range overlap contributi ons to the induced dipole moment and its first derivative for Li+...Ne are estimated.