Vol. 17, issue 12, article # 9

Abstract:

In the framework of a semi-empirical method, the function of dipole moment of the LiH molecule in the ground electronic state has been derived in the form of a piecewise continuous function for the entire range of internuclear distances. The function has a correct asymptotic behavior for both small and large internuclear distances and coincides with the experimental one near the equilibrium internuclear distance R_e. The experimental value of the second derivative of the dipole moment function at the point R_e has been obtained, and the coefficient C₇ determining the behavior of the dipole moment function at large internuclear distances as C₇/R₇ was found.