pith. sign in

arxiv: 1006.3251 · v1 · pith:NUNBNLNJnew · submitted 2010-06-16 · ❄️ cond-mat.mtrl-sci · physics.atm-clus

Ionization potentials in the limit of large atomic number

classification ❄️ cond-mat.mtrl-sci physics.atm-clus
keywords densityionizationexactlimitpotentialtheoryaccurateacross
0
0 comments X
read the original abstract

By extrapolating the energies of non-relativistic atoms and their ions with up to 3000 electrons within Kohn-Sham density functional theory, we find that the ionization potential remains finite and increases across a row, even as $Z\rightarrow\infty$. The local density approximation becomes chemically accurate (and possibly exact) in some cases. Extended Thomas-Fermi theory matches the shell-average of both the ionization potential and density change. Exact results are given in the limit of weak electron-electron repulsion.

This paper has not been read by Pith yet.

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.