Description of the KLL Auger-Meitner decay spectra of argon following primary and satellite core-ionized states.


Journal

The Journal of chemical physics
ISSN: 1089-7690
Titre abrégé: J Chem Phys
Pays: United States
ID NLM: 0375360

Informations de publication

Date de publication:
14 Jul 2023
Historique:
received: 01 05 2023
accepted: 12 06 2023
medline: 11 7 2023
pubmed: 11 7 2023
entrez: 11 7 2023
Statut: ppublish

Résumé

The K-edge photoelectron and KLL Auger-Meitner decay spectra of Argon have been investigated computationally at the restricted active space perturbation theory to the second order level using biorthonormally transformed orbital sets. Binding energies were computed for the Ar 1s primary ionization, as well as for satellite states originated from shake-up and shake-off processes. Based on our calculations, the contributions of shake-up and shake-off states to the KLL Auger-Meitner spectra of Argon have been completely elucidated. Our results are compared with recent state-of-the-art experimental measurements on Argon.

Identifiants

pubmed: 37431911
pii: 2901809
doi: 10.1063/5.0156612
pii:
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Informations de copyright

© 2023 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

Auteurs

Jacob Pedersen (J)

DTU Chemistry-Department of Chemistry, Technical University of Denmark, Kemitorvet Bldg. 207, DK-2800 Kongens Lyngby, Denmark.

Piero Decleva (P)

Istituto Officina dei Materiali IOM-CNR and Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Trieste, I-34121 Trieste, Italy.

Sonia Coriani (S)

DTU Chemistry-Department of Chemistry, Technical University of Denmark, Kemitorvet Bldg. 207, DK-2800 Kongens Lyngby, Denmark.

Bruno Nunes Cabral Tenorio (BNC)

DTU Chemistry-Department of Chemistry, Technical University of Denmark, Kemitorvet Bldg. 207, DK-2800 Kongens Lyngby, Denmark.

Classifications MeSH