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Optics and Spectroscopy, 2024 Volume 132, Issue 10, Pages 991–998 (Mi os1466)

Spectroscopy and physics of atoms and molecules

Ionization potential and electron affinity of element 119: Calculations in optimized Gaussian basis set

A. R. Saetgaraeva, I. I. Tupitsyna, D. P. Usova, I. M. Savelyeva, N. K. Dulaeva, L. V. Skripnikovab, V. M. Shabaevab

a Saint Petersburg State University, St. Petersburg, Russia
b The Petersburg Nuclear Physics Institute, The National Research Center "Kurchatov Institute", Gatchina, Russia

Abstract: This paper presents the optimized basis set of Gaussian functions for relativistic calculations of chemical properties of the superheavy element with nuclear charge $Z = 119$. The obtained basis set was used to calculate ionization potential and electron affinity of element $119$ within the framework of the single-reference coupled cluster method and the Fock-space coupled cluster method.

Keywords: superheavy elements, element 119, basis optimization, relativistic effects, correlation effects, quantum electrodynamics corrections.

Received: 22.10.2024
Revised: 22.10.2024
Accepted: 28.10.2024

DOI: 10.61011/OS.2024.10.59411.7283-24



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