Atomic SCF Calculations for the First Transition Series *

 J. H. WOOD  

University of California, Los Alamos ScientiJic Laboratory, Los Alarnos, New Mexico 

 Abstract  

We report results of atomic self-consistent-field calculations for the atoms Ca through Cu; the configurations 3d714s2, 3dnt14s and 3dnt2 are considered. The calculations employ a scaled Slater free-electron exchange potential and it is found that, for many purposes, the results are of nearly Hartree-Fock quality. The use of this and other exchange potentials in energy band calculations is briefly considered.

 

 https://sci-hub.se/https://onlinelibrary.wiley.com/doi/abs/10.1002/qua.560040738