Approximate Values of (rK) for the Divalent, Trivalent, and Quadrivalent Ions with the 3d(N) Electronic Configuration,
HARRY DIAMOND LABS ADELPHI MD
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Scaling factors, tau, are found that best fit the Hartree Fock values of the Slater parameters, Fk sub HF, to the experimental free ion values of Fk. Two sets of experimental Fk were used to determine tau values for the doubly, triply, and quadruply ionized elements X2, X3, X4 of the first transition series 3dN. The resulting tau values for each ionization state were linearly fit to a form tau a bN, and the three sets of a and b were determined. The set of tau obtained using the Fk reported in the literature are tau 0.76878 0.011128N for X2, tau 0.81184 0.0073953N for X3, and tau 0.83540 0.0056009N for X4. We obtained a similar set of tau values by fitting theoretical values to the reported spectra of the free ions. The two sets of tau were then used to obtain values of rk from the Hartree-Fock values rkHF sub HF by the use of rk rkHF sub HF tauk for the three ionization states, X2, X3, and S4.
- Theoretical Mathematics
- Nuclear Physics and Elementary Particle Physics