Abstract: | A system of INDO parameters F0(ij) and Uii for the first-and second-row transition metals is proposed. The system correctly reproduces the energies of the lowest terms of dn, dn−1s, dn−2s2, dn−1p, and dn−2sp configurations of M0 atoms and M1+ ions. The parameters are estimated from spectroscopic values of energies of the terms and Fk(ij) and Gk(ij) parameters. St. Petersburg State University. Translated fromZhurnal Strukturnoi Khimii, Vol. 35, No. 4, pp. 3–11, July–August, 1994. Translated by O. Kharlamova |