Abstract
Coulomb interaction strengths ( and ) have been calculated from Hartree-Fock-Slater atomic calculations for 3d transition and 5f actinide elements, respectively. By decomposing the different contributions to the response (screening) to the 3d charge fluctuation, we show that a substantial reduction in arises due to the relaxation of the 3d charge distribution itself. This, combined with the screening due to the response of the 4s charge density, is shown to provide a very compact screening charge comparable to the metallic case, explaining the success of the atomic calculations for estimating U even in the metals. A pronounced dependence of (or ) on the number of electrons () or the electronic configuration is also shown here.
- Received 16 May 1988
DOI:https://doi.org/10.1103/PhysRevB.39.3517
©1989 American Physical Society