Ionization potentials and electron affinities of Rg, Cn, Nh, and Fl superheavy elements

M. Y. Kaygorodov, D. P. Usov, E. Eliav, Y. S. Kozhedub, A. V. Malyshev, A. V. Oleynichenko, V. M. Shabaev, L. V. Skripnikov, A. V. Titov, I. I. Tupitsyn, and A. V. Zaitsevskii

Phys. Rev. A 105, 062805 – Published 8 June 2022

Abstract

The successive ionization potentials (IPs) and electron affinities (EAs) for superheavy elements with $111 \leq Z \leq 114$ , namely, Rg, Cn, Nh, and Fl, are reexamined using the relativistic Fock-space coupled-cluster method with nonperturbative single (S), double (D), and triple (T) cluster amplitudes (FS-CCSDT). For most of the considered quantities, the triple-amplitude contributions turn out to be important. The Breit and frequency-dependent Breit corrections are evaluated by means of the configuration-interaction method. The quantum-electrodynamics corrections to the IPs and EAs are taken into account within the model-QED-operator approach. The obtained results are within 0.10 eV uncertainty.

Received 16 February 2022
Accepted 25 May 2022

DOI:https://doi.org/10.1103/PhysRevA.105.062805

Physics Subject Headings (PhySH)

Atomic & molecular structure Electron correlation calculations for atoms & ions Electronic structure of atoms & molecules Relativistic & quantum electrodynamic effects in atoms, molecules,& ions

Atomic, Molecular & Optical

Authors & Affiliations

M. Y. Kaygorodov ¹, D. P. Usov¹, E. Eliav², Y. S. Kozhedub ¹, A. V. Malyshev¹, A. V. Oleynichenko ³, V. M. Shabaev ¹, L. V. Skripnikov ^3,1, A. V. Titov ³, I. I. Tupitsyn ¹, and A. V. Zaitsevskii ^3,4

¹Department of Physics, St. Petersburg State University, 7/9 Universitetskaya nab., 199034 St. Petersburg, Russia
²School of Chemistry, Tel Aviv University, 69978 Tel Aviv, Israel
³B. P. Konstantinov Petersburg Nuclear Physics Institute of National Research Centre “Kurchatov Institute”, Gatchina, 188300 Leningrad District, Russia
⁴Department of Chemistry, M. V. Lomonosov Moscow State University, 119991 Moscow, Russia

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Vol. 105, Iss. 6 — June 2022

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