Molecular structure of firstrow transition metal dihalides from combined electron diffraction and vibrational spectroscopic analysis J. Chem. Phys. 94, 7278 (1991); 10.1063/1.460212 Positive ions of the first and secondrow transition metal hydrides J. Chem. Phys. 87, 481 (1987); 10.1063/1.453594The welltempered GTF basis sets in calculations on the s 2 d n , s 1 d n+1, and d n+2 configurations of the first and secondrow transition metal atoms Systematic numerical Hartree-Fock results for the lower states of the configurations nd kϩ1 (nϩ1)s 0 (nϩ1)p 1 , nd k (nϩ1)s 1 (nϩ1)p 1 , and nd kϪ1 (nϩ1)s 2 (nϩ1)p 1 corresponding to the neutral atoms of the first and second row of transition metals are reported. Average energies of each configuration and LS energies of the corresponding lowest states are presented and discussed. The excitation energies and the relative orbital sizes for these states are also examined.