Densityfunctional theory of the correlation energy in atoms and ions: A simple analytic model and a challenge
Abstract
A simple and accurate analytic model is derived for the correlation energy of any atom or ion within three densityfunctional approximations based on the uniform electron gas: the localspindensity approximation (LSD), the selfinteraction corrected (SIC) version of LSD, and the antiparallelspin LSD of Stoll et al. The last two approximations give good results for the correlation energies of neutral atoms, in contrast to LSD which overestimates these energies by a factor of 2. However, all three approximations show an incorrect lnZ leading behavior when the nuclear charge Z tends to infinity at fixed electron number N. It is hard to see how any a priori electrongas approximation can reproduce the exact leading behavior, which is constant or linear in Z according to the value of N.
 Publication:

Physical Review A
 Pub Date:
 June 1981
 DOI:
 10.1103/PhysRevA.23.2785
 Bibcode:
 1981PhRvA..23.2785P