Determination of the effective nuclear charge for free ions of transition metals from experimental spectra

The refined set of values of the effective nuclear charge (\(\bar Z_{ef} \)) and the set of one-electron spin-orbital constants (ξ _3d ^teor ) are obtained for ions of transition metals with the help of a semiempirical method of calculation of the spectrum of free ions with allowance for the spin-orbital interaction. The effective nuclear charge, which is a variable theoretical parameter, was determined from a comparison of theoretically calculated ion absorption spectra with experimental ones. The form of the potential for the calculation of the spin-orbital constant was chosen such that the calculated value ξ _3d ^teor would coincide with the experimental one ξ _3d ^exp . The calculated set of values \(\bar Z_{ef} \), ξ _3d ^teor } can be used in semiempirical calculations of energy levels of 3d ions (ions with an incomplete 3d shell).