Abstract
Several issues, concerning QED corrections, that are important in precise atomic calculations are presented. The leading QED corrections, self-energy and vacuum polarization, to the orbital energy for selected atoms with 30 ≤ Z ≤ 118 have been calculated. The sum of QED and Breit contributions to the orbital energy is analyzed. It has been found that for ns subshells the Breit and QED contributions are of comparative size, but for np and nd subshells the Breit contribution takes a major part of the QED+Breit sum. It has also, been found that the Breit to leading QED contributions ratio for ns subshells is almost independent of Z. The Z-dependence of QED and Breit+QED contributions per subshell is shown. The fitting coefficients may be used to estimate QED effects on inner molecular orbitals. We present results of our calculations for QED contributions to orbital energy of valence ns-subshell for group 1 and 11 atoms and discuss about the reliability of these numbers by comparing them with experimental first ionization potential data.
Highlights
It is worth to mention that for ns subshells the Breit and QED contributions are of comparative size, but for np
We investigated QED effects on individual atomic orbital energies
(1) The Z-dependence of QED contributions to orbital energies has been evaluated by fitting QED contributions to the orbital ns and np energies by the a × Zb power function
Summary
There is an increasing interest to study the electronic effects on atomic systems that are included in the field called precision tests of bound state QED. accurate calculations of magnetic atomic properties are reaching the stage that some earlier considered vanishingly small effects, as QED need to be included. In addition to the relativistic effects for heavy-atom containing molecules, one should start to consider the effects of the nuclear model and two-body effects beyond Coulomb interactions and QED effects.. The contribution to the energy levels of QED effects in hydrogen-like atoms have a dependence as (mc)2α(αZ) ln(αZ) [or α(αZ) ln(αZ) in atomic hartree units] for self-energy (SE) corrections and of (mc)2α(αZ)4 [or α(αZ) in atomic hartree units] for vacuum polarization (VP) where m is the electron mass, c is the speed of light, α is the fine structure constant, and Z is the nuclear charge. We studied QED and Breit contributions to the orbital energy and the Z-dependence of QED and Breit+QED contributions per subshell
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