Sternheimer antishielding factors for core electrons in metals: comparison with free-ion results

The Sternheimer antishielding factor γ∞ has been calculated using nonrelativistic Hartree-Fock-Slater core-electron wave functions for several metallic elements in the third, fourth, and fifth rows of the Periodic Table assuming the ground-state electronic configuration for the transition-metal atoms to be 3dn4s1, 4dn5s1, and 5dn6s2, respectively. These values have been compared with the available γ∞ values based on the free-ionic-core-electron wave functions. For the elements in the intermediate region of each row, the presently calculated γ∞ values are found to be significantly different from the frequently used free-ion values corresponding to the core-electron configuration