Vol. 22, issue 05, article # 3
Buldakov M. A., Koryukina E. V., Cherepanov V. N. General regularities in the behavior of dipole moment functions of diatomic molecules at small internuclear separations. // Optika Atmosfery i Okeana. 2009. V. 22. No. 05. P. 428-434 [in Russian].Copy the reference to clipboard
Abstract:
On the base of the united atom model and LS-coupling approximation the calculations of dipole moment functions at small internuclear separations R were performed for a number of diatomic molecules. In this work, molecule families relating to the united atoms Li 2S), Na (2S), B (1P), Al (1P) and O (1D) were considered. It was shown, that the dipole moment functions at R → 0 satisfy the asymptotic dependence μ(R) = AR3. Regularities in the behavior of the functions μ(R) in dependence on an electronic state and nucleus charges of molecules were found. Obtained regularities are in good agreement with results of our calculations for molecules, whose united atoms are in the II, IV, V, VII and VIII groups of the periodic table.
Keywords:
function of dipole moment; two-atom molecules