Vol. 15, issue 09, article # 15
pdf Buldakov M. A. Polarizability of diatomic homonuclear molecules: internuclear dependence. // Atmospheric and oceanic optics. 2002. V. 15. No. 09. P. 752-756.Copy the reference to clipboard
Abstract:
A semiempirical method has been developed for calculation of the polarizability tensor components of diatomic homonuclear molecules as functions of the internuclear separation R. The method is based on the known polarizability function of a molecule for small R, the values of polarizability and its derivatives for the equilibrium configuration, and improved polarizability functions of oriented interacting atoms at large R. The latter accounts for multipole interactions between the atoms and for the change in atomic polarizabilities as atoms approach each other. The atomic multipole interactions are taken into account using a model of two interacting dielectric spheres. The method proposed has been tested with the H2 molecule as a case study and was applied to calculation of the polarizability functions of the N2 and O2 molecules.