# Generalized relativistic small‐core pseudopotentials accounting for quantum electrodynamic effects: Construction and pilot applications

@article{Zaitsevskii2022GeneralizedRS, title={Generalized relativistic small‐core pseudopotentials accounting for quantum electrodynamic effects: Construction and pilot applications}, author={Andr{\'e}i V. Zaitsevskii and Nikolai S. Mosyagin and Alexander V. Oleynichenko and Ephraim Eliav}, journal={International Journal of Quantum Chemistry}, year={2022} }

A simple procedure to incorporate one-loop quantum electrodynamic (QED) corrections into the generalized (Gatchina) nonlocal shape-consistent relativistic pseudopotential model is described. The pseudopotentials for Lu, Tl, and Ra replacing only inner core shells (with principal quantum numbers n ≤ 3 for the two former elements and n ≤ 4 for the latter one) are derived from the solutions of reference atomic SCF problems with the Dirac-Coulomb-Breit Hamiltonian to which the model Lamb shift…

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