{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,28]],"date-time":"2026-02-28T04:31:40Z","timestamp":1772253100291,"version":"3.50.1"},"reference-count":27,"publisher":"MDPI AG","issue":"3","license":[{"start":{"date-parts":[[2021,3,22]],"date-time":"2021-03-22T00:00:00Z","timestamp":1616371200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Symmetry"],"abstract":"<jats:p>In this work, we outline a general method for calculating Auger spectra in molecules, which accounts for the underlying symmetry of the system. This theory starts from Fano\u2019s formulation of the interaction between discrete and continuum states, and it generalizes this formalism to deal with the simultaneous presence of several intermediate quasi-bound states and several non-interacting decay channels. Our theoretical description is specifically tailored to resonant autoionization and Auger processes, and it explicitly includes the incoming wave boundary conditions for the continuum states and an accurate treatment of the Coulomb repulsion. This approach is implemented and applied to the calculation of the K\u2212LL Auger and autoionization spectra of ozone, which is a C2v symmetric molecule, whose importance in our atmosphere to filter out radiation has been widely confirmed. We also show the effect that the molecular point group and, in particular, the localization of the core-hole in the oxygen atoms related by symmetry operations, has on the electronic structure of the Auger states and on the spectral lineshape by comparing our results with the experimental data.<\/jats:p>","DOI":"10.3390\/sym13030516","type":"journal-article","created":{"date-parts":[[2021,3,22]],"date-time":"2021-03-22T12:55:07Z","timestamp":1616417707000},"page":"516","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["The Resonant and Normal Auger Spectra of Ozone"],"prefix":"10.3390","volume":"13","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4010-8000","authenticated-orcid":false,"given":"Simone","family":"Taioli","sequence":"first","affiliation":[{"name":"European Centre for Theoretical Studies in Nuclear Physics and Related Areas (ECT*-FBK), 38123 Trento, Italy"},{"name":"Trento Institute for Fundamental Physics and Applications (TIFPA-INFN), 38123 Trento, Italy"},{"name":"Institute of Physics, Nanotechnology and Telecommunications, Peter the Great St. Petersburg Polytechnic University, 195251 Saint Petersburg, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9287-8651","authenticated-orcid":false,"given":"Stefano","family":"Simonucci","sequence":"additional","affiliation":[{"name":"School of Science and Technology, University of Camerino, 62032 Camerino, Italy"},{"name":"Istituto Nazionale di Fisica Nucleare, Sezione di Perugia, 06123 Perugia, Italy"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2021,3,22]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.3137\/ao.460101","article-title":"Ozone: From discovery to protection","volume":"46","author":"McElroy","year":"2008","journal-title":"Atmos. 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