Are MCDF calculations 101% correct in the super-heavy elements range?

@article{Indelicato2011AreMC,
  title={Are MCDF calculations 101% correct in the super-heavy elements range?},
  author={P. Indelicato and J. Bieron and P. J{\"o}nsson},
  journal={Theoretical Chemistry Accounts},
  year={2011},
  volume={129},
  pages={495-505}
}
We explore QED and many-body effects in super-heavy elements up to Z = 173 using the multiconfiguration Dirac–Fock method. We study the effect of going beyond the average level approximation on the determination of the ground state of element 140 and compare with the recent work of Pekka Pyykkö on the periodic table for super-heavy elements (Pyykko¨, in Phys Chem Chem Phys, 13:161, 2011). We confirm that QED corrections are of the order of 1% on ionization energies. We show that the atomic… Expand
32 Citations

Figures and Tables from this paper

Relativistic Quantum Chemistry for Chemical Identification of the Superheavy Elements
  • 1
  • PDF
de Chemistry of the superheavy elements
  • PDF
...
1
2
3
4
...

References

SHOWING 1-10 OF 93 REFERENCES
Multiconfiguration Dirac-Fock calculations of transition energies with QED corrections in three-electron ions.
  • Indelicato, Desclaux
  • Physics, Medicine
  • Physical review. A, Atomic, molecular, and optical physics
  • 1990
  • 140
Accurate screened QED calculations in high-Z many-electron ions.
  • Blundell
  • Physics, Medicine
  • Physical review. A, Atomic, molecular, and optical physics
  • 1992
  • 82
...
1
2
3
4
5
...