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  • 1. Indelicato, Paul
    et al.
    Bieron, Jacek
    Jönsson, Per
    Malmö högskola, School of Technology (TS).
    Are MCDF calculations 101 % correct in the superheavy elements range?2011In: Theoretical Chemistry accounts, ISSN 1432-881X, E-ISSN 1432-2234, Vol. 129, no 3-5, p. 495-505Article in journal (Refereed)
    Abstract [en]

    We explore QED and many-body effects in super-heavy elements up to Z = 173 using the multicon- figuration 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 Pyykko¨ 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 number at which the 1s shell dives into the negative energy continuum is 173 and is not affected by the approximation employed to evaluate the electron–electron interaction.

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