Abstract
The approximate 4s and 3d radial wavefunctions of Richardsonet al. [J, chem. Physics 36, 1057 (1962)] for first-row transition-metal atoms and ions have been extended to additional electronic configurations. The results suggest several improvements in the 4s wavefunction parameters. Formulas are reported for extending the “double-ζ” 3d wavefunctions over the range of atomic orbitalsd1 throughd10. The results are intended for use in calculations of chemical bonding.
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