{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,25]],"date-time":"2026-06-25T07:41:47Z","timestamp":1782373307833,"version":"3.54.5"},"reference-count":85,"publisher":"American Chemical Society (ACS)","issue":"20","license":[{"start":{"date-parts":[[2024,5,14]],"date-time":"2024-05-14T00:00:00Z","timestamp":1715644800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2024,5,14]],"date-time":"2024-05-14T00:00:00Z","timestamp":1715644800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2024,5,14]],"date-time":"2024-05-14T00:00:00Z","timestamp":1715644800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100004040","name":"KU Leuven","doi-asserted-by":"publisher","award":["C14\/22\/083"],"award-info":[{"award-number":["C14\/22\/083"]}],"id":[{"id":"10.13039\/501100004040","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100010663","name":"H2020 European Research Council","doi-asserted-by":"publisher","award":["851766"],"award-info":[{"award-number":["851766"]}],"id":[{"id":"10.13039\/100010663","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2024,5,23]]},"DOI":"10.1021\/acs.jpca.4c01316","type":"journal-article","created":{"date-parts":[[2024,5,14]],"date-time":"2024-05-14T13:14:26Z","timestamp":1715692466000},"page":"3957-3967","source":"Crossref","is-referenced-by-count":8,"title":["<i>Ab Initio<\/i> Computation of Auger Decay in Heavy Metals: Zinc about It"],"prefix":"10.1021","volume":"128","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-8426-2582","authenticated-orcid":true,"given":"Anthuan","family":"Ferino-P\u00e9rez","sequence":"first","affiliation":[{"name":"Department of Chemistry, KU Leuven, B-3001 Leuven, Belgium"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5919-424X","authenticated-orcid":true,"given":"Thomas-C.","family":"Jagau","sequence":"additional","affiliation":[{"name":"Department of Chemistry, KU Leuven, B-3001 Leuven, Belgium"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2024,5,14]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1007\/BF01328399"},{"key":"ref2\/cit2","first-page":"169","volume":"177","author":"Auger P.","year":"1923","journal-title":"C. R. Acad. Sci."},{"key":"ref3\/cit3","volume-title":"X-ray spectroscopy: an introduction","volume":"15","author":"Agarwal B. K.","year":"2013"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1080\/09553000400017663"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.45.1937"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1088\/0953-4075\/33\/2\/201"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.14.390"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.114.013002"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1201\/9780203758595-3"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1016\/j.elspec.2019.146893"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1007\/0-387-37590-2_10"},{"key":"ref12\/cit12","volume-title":"Auger and X-ray photoelectron spectroscopy in materials science: a user-oriented guide","volume":"49","author":"Hofmann S.","year":"2012"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1017\/S1551929511000083"},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"53","DOI":"10.1016\/B978-0-323-28990-0.00003-8","volume-title":"Emerging Nanotechnologies for Manufacturing (Second ed.)","author":"Brabazon D.","year":"2015"},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"373","DOI":"10.1016\/B978-0-12-814182-3.00020-1","volume-title":"Characterization of Nanoparticles","author":"Unger W. E. S.","year":"2020"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/ar00097a007"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.98.063403"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.122.233001"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.0c02719"},{"issue":"1","key":"ref20\/cit20","first-page":"4S","volume":"46","author":"Kassis A. I.","year":"2005","journal-title":"J. Nucl. Med."},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1007\/s00259-006-0187-2"},{"issue":"2","key":"ref22\/cit22","first-page":"181","volume":"4","author":"Vallis K. A.","year":"2014","journal-title":"Am. J. Nucl. Med. Mol. Imaging"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.3171\/2010.2.JNS091211"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1186\/s41181-019-0075-2"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1016\/j.nucmedbio.2021.03.002"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1118\/1.596927"},{"key":"ref27\/cit27","doi-asserted-by":"crossref","DOI":"10.1017\/CBO9780511976186","volume-title":"Non-Hermitian quantum mechanics","author":"Moiseyev N.","year":"2011"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1039\/D1CC07090H"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1063\/5.0008432"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.21.442"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.21.436"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1006\/adnd.2000.0855"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1002\/xrs.3089"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.107.012809"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.124.1866"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1016\/0003-4916(62)90221-X"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1063\/5.0075646"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1080\/00268976.2022.2105270"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1063\/5.0138674"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.3c01649"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1007\/BF01877510"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1007\/BF01877511"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.41.1364"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1063\/1.440100"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1063\/1.4906940"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-016-1887-8"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1021\/cr00090a003"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(98)00862-8"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1016\/0375-9474(81)90179-2"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1002\/qua.560480103"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1063\/1.464746"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1063\/1.468022"},{"key":"ref53\/cit53","doi-asserted-by":"crossref","DOI":"10.1017\/CBO9780511596834","volume-title":"Many-body methods in chemistry and physics: MBPT and coupled-cluster theory","author":"Shavitt I.","year":"2009"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1063\/1.474922"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(03)01181-3"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1063\/1.2436882"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1063\/1.4897254"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1063\/1.5012041"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1063\/1.479673"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1021\/jp0581126"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1063\/5.0004837"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1063\/5.0055522"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1063\/1.4795750"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1063\/1.4885056"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1063\/1.4986950"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1080\/00268977800102631"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1063\/1.5028179"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1063\/1.456153"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1063\/1.462569"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1063\/1.470645"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1063\/1.1998907"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1063\/1.1520138"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevMaterials.3.100801"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.151.886"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.15.544"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1016\/j.elspec.2003.09.008"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1016\/j.elspec.2011.05.007"},{"key":"ref78\/cit78","volume-title":"Dependence of the absolute probabilities of KLL Auger transitions on the atomic number, 30 less than or equal to Z. less than or equal to 94. II","author":"Babenkov M.","year":"1972"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1063\/1.452118"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1063\/1.460369"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1088\/0022-3700\/16\/22\/006"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.30.1107"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.31.709"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1038\/s41557-023-01302-1"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1038\/nchem.2429"}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.4c01316","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.4c01316","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,5,23]],"date-time":"2024-05-23T08:23:39Z","timestamp":1716452619000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpca.4c01316"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,5,14]]},"references-count":85,"journal-issue":{"issue":"20","published-print":{"date-parts":[[2024,5,23]]}},"alternative-id":["10.1021\/acs.jpca.4c01316"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpca.4c01316","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,5,14]]}}}