TY - JOUR
T1 - Relativistic coupled cluster calculations of the electron affinity and ionization potential of Nh(113)
AU - Guo, Yangyang
AU - Borschevsky, Anastasia
AU - Eliav, Ephraim
AU - Pasteka, Lukas F.
N1 - Publisher Copyright:
© 2022 The Author(s). Published by IOP Publishing Ltd.
PY - 2022/8/3
Y1 - 2022/8/3
N2 - Theoretical calculations based on the Dirac-Coulomb-Breit relativistic coupled cluster method have been carried out for the electron affinities and ionization potentials (IPs) of the superheavy element nihonium (Nh) and its lighter homologues In and Tl. The In and Tl calculations are in agreement with measurement within uncertainties. For Nh, where experiment is yet unknown, we predict the IP of 7.569(48) eV and electron affinity of 0.776(30) eV.
AB - Theoretical calculations based on the Dirac-Coulomb-Breit relativistic coupled cluster method have been carried out for the electron affinities and ionization potentials (IPs) of the superheavy element nihonium (Nh) and its lighter homologues In and Tl. The In and Tl calculations are in agreement with measurement within uncertainties. For Nh, where experiment is yet unknown, we predict the IP of 7.569(48) eV and electron affinity of 0.776(30) eV.
KW - computational chemistry
KW - coupled cluster theory
KW - electron affinity
KW - ionization potential
KW - nihonium
KW - superheavy elements
UR - http://www.scopus.com/inward/record.url?scp=85133638210&partnerID=8YFLogxK
U2 - 10.1088/1361-6455/ac761f
DO - 10.1088/1361-6455/ac761f
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AN - SCOPUS:85133638210
SN - 0953-4075
VL - 55
JO - Journal of Physics B: Atomic, Molecular and Optical Physics
JF - Journal of Physics B: Atomic, Molecular and Optical Physics
IS - 15
M1 - 155003
ER -