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; A. V. Zaitsevskii

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

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, A. V. Zaitsevskii

School of Chemistry

Tel Aviv University

Research output: Contribution to journal › Article › peer-review

Abstract

The successive ionization potentials (IPs) and electron affinities (EAs) for superheavy elements with 111≤Z≤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.

Original language	English
Article number	062805
Journal	Physical Review A
Volume	105
Issue number	6
DOIs	https://doi.org/10.1103/PhysRevA.105.062805
State	Published - Jun 2022

All Science Journal Classification (ASJC) codes

Atomic and Molecular Physics, and Optics

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

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@article{6a4695a98c864e579845f6fbb24cad5c,

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

abstract = "The successive ionization potentials (IPs) and electron affinities (EAs) for superheavy elements with 111≤Z≤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.",

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

note = "Publisher Copyright: {\textcopyright} 2022 American Physical Society.",

year = "2022",

month = jun,

doi = "https://doi.org/10.1103/PhysRevA.105.062805",

language = "الإنجليزيّة",

volume = "105",

journal = "Physical Review A",

issn = "2469-9926",

publisher = "American Physical Society",

number = "6",

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TY - JOUR

T1 - Ionization potentials and electron affinities of Rg, Cn, Nh, and Fl superheavy elements

AU - Kaygorodov, M. Y.

AU - Usov, D. P.

AU - Eliav, E.

AU - Kozhedub, Y. S.

AU - Malyshev, A. V.

AU - Oleynichenko, A. V.

AU - Shabaev, V. M.

AU - Skripnikov, L. V.

AU - Titov, A. V.

AU - Tupitsyn, I. I.

AU - Zaitsevskii, A. V.

PY - 2022/6

Y1 - 2022/6

N2 - The successive ionization potentials (IPs) and electron affinities (EAs) for superheavy elements with 111≤Z≤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.

AB - The successive ionization potentials (IPs) and electron affinities (EAs) for superheavy elements with 111≤Z≤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.

UR - http://www.scopus.com/inward/record.url?scp=85131874637&partnerID=8YFLogxK

U2 - https://doi.org/10.1103/PhysRevA.105.062805

DO - https://doi.org/10.1103/PhysRevA.105.062805

M3 - مقالة

SN - 2469-9926

VL - 105

JO - Physical Review A

JF - Physical Review A

IS - 6

M1 - 062805

ER -

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

Abstract

All Science Journal Classification (ASJC) codes

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