An alternative exchange energy density (eed) in DFT is first proposed, depending on the optimized exchange force (OEF). It is evaluated using a numerical form of OEF for the non-relativistic Ne-like atomic ion series for atomic number Z = 92. Comparison is made with the Dirac form of eed available analytically. Related results are also presented for Ar-like atomic ions.
All Science Journal Classification (ASJC) codes
- General Chemistry
- Applied Mathematics
- Exchange potential and exchange energy densities
- Inhomogeneous electron liquid