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Isotope shift for total electron binding energy of atoms

We compute the isotope shifts of the \emph{total} electron binding energy of neutral atoms and singly charged ions up to element $Z=120$, using relativistic Hartree-Fock method including the Breit interaction.… Click to show full abstract

We compute the isotope shifts of the \emph{total} electron binding energy of neutral atoms and singly charged ions up to element $Z=120$, using relativistic Hartree-Fock method including the Breit interaction. Field shift coefficients are extracted by varying the nuclear charge radius; a small quadratic term is retained to cover large radius changes relevant to superheavy nuclei. We tabulate isotope shift coefficients for closed shell systems from Ne to Og and benchmark selected open shell cases, used to test the interpolation formula. A simple power law interpolation $bZ^k$ reproduces calculated field shifts to within about 1\% across the table, with the effective exponent $k$ growing from roughly 5 near $Z \sim 50$ to about 12 at $Z \sim 118$. Due to the domination of inner shells, differences between neutrals and singly charged ions does not exceed few percent, becoming noticeable mainly when an outer $s$ electron is removed. Therefore, these results may also be used for higher charge ions.

Keywords: shift; total electron; isotope shift; electron binding; binding energy

Journal Title: Physical Review A
Year Published: 2025

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