Radial Functions of Diatomic Lithium Halides X ¹Σ⁺ From Vibration-Rotational Spectra

Abstract

The radial functions for potential energy and adiabatic and nonadiabatic effects in the forms of polynomials with coefficients c_j, h_j ^Li, h_j ^X, g_j ^Li and g_j ^X of the reduced variable for internuclear distance z=2.(R-R_e)/(R+R_e) to various non-negative powers have been determined for the family of diatomic molecules of the lithium halides, LiF, LiCl, LiBr and LiI, with the corresponding results of LiH included for purposes of comparison. Trends are evident in the coefficients of lower order, but those of higher order are susceptible not only to the influence of the extent and quality of the data but also to the truncation of the power series in the representations. The various radial functions are valid with the specified ranges of internuclear distance depending on the maximum extent of vibrational excitation of the spectra.

Key Words:

• potential-energy functions
• lithium halides