TY  - JOUR
A1  - Niskanen, Johannes
A1  - Jankala, Kari
A1  - Huttula, Marco
A1  - Föhlisch, Alexander
T1  - QED effects in 1s and 2s single and double ionization potentials of the noble gases
JF  - The journal of chemical physics : bridges a gap between journals of physics and journals of chemistr
N2  - We present calculations on the quantum electrodynamics (QED) effects in 1s and 2s single and double ionization potentials of noble gases from Ne to Rn as perturbations on relativistic four-component Dirac-Fock wavefunctions. The most dominant effect originates from the self-energy of the core-electron that yields corrections of similar order as the transverse interaction. For 1s ionization potentials, a match within few eV against the known experimental values is obtained, and our work reveals considerable QED effects in the photoelectron binding energies across the periodic table-most strikingly even for Ne. We perform power-law fits for the corrections as a function of Z and interpolate the QED correction of similar to-0.55 eV for S1s. Due to this, the K-edge electron spectra of the third row and below need QED for a match in the absolute energy when using state-of-the-art instrumentation. Published by AIP Publishing.
Y1  - 2017
U6  - https://doi.org/10.1063/1.4979991
SN  - 0021-9606
SN  - 1089-7690
VL  - 146
SP  - 1443
EP  - 1450
PB  - American Institute of Physics
CY  - Melville
ER  -