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 $Z=2$ (He) to $Z=26$ (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.
Full Text
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call