https://doi.org/10.1140/epjd/e2008-00222-0
Optimized effective potential energies and ionization potentials for the atoms Li to Ra
1
Departamento de Física Atómica, Molecular y Nuclear, Facultad de Ciencias, Universidad de Granada, 18071 Granada, Spain
2
Departamento de Física, Campus de Rabanales, Edificio C2 Universidad de Córdoba, 14071 Córdoba, Spain
Corresponding author: a falsarua@uco.es
Received:
21
July
2008
Revised:
4
September
2008
Published online:
28
November
2008
A systematic application of the optimized effective potential equations for atoms in both the non-relativistic and relativistic cases is carried out. The ground state energy and the ionization potential of the atoms Li through to Ra is obtained. In the relativistic case, a trial wave function including all of the jj configurations that contribute to the ground state term within the electronic configuration are included. The results are compared with the corresponding Hartree-Fock and Dirac-Hartree-Fock values.
PACS: 31.15.-p – Calculations and mathematical techniques in atomic and molecular physics / 31.15.xt – Variational techniques / 31.30.jc – Relativistic corrections to atomic structure and properties
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2008
