Polarizability functions of the N_2 and O_2 molecules

摘要

The semiempirical method for calculation of the polarizability functions for diatomic homonuclear molecules as piecewise-continuous ones has been developed. The polarizability functions found exhibit physically correct asymptotic behaviour at small and large internuclear separations and agree with the polarizability functions near the nuclear equilibrium position of the molecule. In the framework of the approach the exchange interactions have been considered to improve the polarizability functions under large internuclear distances including the range of small overlapping of the electronic shells of the interacting atoms. The method has been applied to calculate the polarizability functions of the N_2 and O_2 molecules in the internuclear distances R ∈ [0,∞).