Abstract
The performance of commonly used correlation and exchange-correlation functionals has been studied for highly charged atomic ions. Calculated energies have been compared with exact nonrelativistic energies of atomic species with 2–18 electrons for nuclei from (He) to (Ni). It is found that all density functionals considered here reveal problems in the description of correlation effects as a function of nuclear charge Z.
- Received 14 May 1998
DOI:https://doi.org/10.1103/PhysRevA.58.1902
©1998 American Physical Society