Approximate Radial Functions for Firsthyphen;Row Transitionhyphen;Metal Atoms and Ions. II. 4pand 4dAtomic Orbitals

摘要

Orthogonalized 4pand 4dradial wavefunctions for firsthyphen;row transitionhyphen;metal atoms and ions have been computed using a minimum set of Slaterhyphen;type functions with integral quantum numbers. Configurations of the type 3dx4p, 3dx4p2, 3dx4dand 3dx4d2were studied. Free parameters were varied to minimize the energy of these electrons in the (fixed) Coulomb and exchange potential field of the inner shells, considered in a previous paper. Various criteria suggest that these functions are reasonably good. The results were generalized to provide estimates of parameters for related configurations.