@inbook{b0bce16d81dc46f3a14367637d95f2cd,
title = "Ionization potentials and electron affinity of oganesson with relativistic coupled cluster method",
abstract = "We present high accuracy relativistic coupled cluster calculations of the first and second ionization potentials and the electron affinity of the heaviest element in the periodic table, Og. The results were extrapolated to the basis set limit and augmented with the higher order excitations (up to perturbative quadruples), the Breit contribution, and the QED self-energy and vacuum polarization corrections. We have performed an extensive investigation of the effect of the various computational parameters on the calculated properties, which allowed us to assign realistic uncertainties on our predictions. Similar study on the lighter homolog of Og, Rn, yields excellent agreement with experiment for the first ionization potential and a reliable prediction for the second ionization potential.",
keywords = "Couple cluster theory, Electron affinity, Ionization potential, Oganesson, Relativistic methods, Superheavy elements",
author = "Yangyang Guo and Pa{\v s}teka, {Luk{\'a}{\v s} F.} and Ephraim Eliav and Anastasia Borschevsky",
note = "Funding Information: We would like to thank the Center for Information Technology of the University of Groningen for providing access to the Peregrine high performance computing cluster and for their technical support. LFP acknowledges the support from the Slovak Research and Development Agency (APVV-20-0098, APVV-20-0127) and the Scientific Grant Agency of the Slovak Republic (1/0777/19). Publisher Copyright: {\textcopyright} 2021 Elsevier Inc.",
year = "2021",
doi = "10.1016/bs.aiq.2021.05.007",
language = "English",
isbn = "9780128235461",
series = "Advances in Quantum Chemistry",
publisher = "ACADEMIC PRESS INC ELSEVIER SCIENCE",
pages = "107--123",
editor = "Monika Musial and Hoggan, {Philip E.}",
booktitle = "New Electron Correlation Methods and their Applications, and Use of Atomic Orbitals with Exponential Asymptotes",
}