Aufsatz
Estimation of the ground state correlation energy for isoelectronic series of 2 to 20 electrons
Abstract
Correlation energies for all isoelectronic sequences of 2 to 20 electrons and Z = 2 to
25 are obtained by taking differences between theoretical total energies of Dirac-Fock
calculations and experimental total energies. These are pure relativistic correlation energies because relativistic and QED effects are already taken care of. The theoretical as
well as the experimental values are analysed critically in order to get values as accurate
as possible. The correlation energies obtained show an essentially consistent behaviour from Z = 2 to 17. For Z > 17 inconsistencies occur indicating errors in the experimental values which become very large for Z > 25.
25 are obtained by taking differences between theoretical total energies of Dirac-Fock
calculations and experimental total energies. These are pure relativistic correlation energies because relativistic and QED effects are already taken care of. The theoretical as
well as the experimental values are analysed critically in order to get values as accurate
as possible. The correlation energies obtained show an essentially consistent behaviour from Z = 2 to 17. For Z > 17 inconsistencies occur indicating errors in the experimental values which become very large for Z > 25.