{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,4]],"date-time":"2026-06-04T04:47:24Z","timestamp":1780548444783,"version":"3.54.1"},"reference-count":37,"publisher":"American Chemical Society (ACS)","issue":"18","license":[{"start":{"date-parts":[[2026,4,27]],"date-time":"2026-04-27T00:00:00Z","timestamp":1777248000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,4,27]],"date-time":"2026-04-27T00:00:00Z","timestamp":1777248000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,4,27]],"date-time":"2026-04-27T00:00:00Z","timestamp":1777248000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2026,5,7]]},"DOI":"10.1021\/acs.jpca.5c08494","type":"journal-article","created":{"date-parts":[[2026,4,27]],"date-time":"2026-04-27T14:07:23Z","timestamp":1777298843000},"page":"3562-3577","source":"Crossref","is-referenced-by-count":1,"title":["The Cu L-edge XPS Spectrum of Copper Phthalocyanine: Quantitative Ab Initio Analysis Including Spin\u2013Orbit Coupling and L\u00f6wdin Nonorthogonal Determinant Overlaps"],"prefix":"10.1021","volume":"130","author":[{"given":"Rabah","family":"Benbalagh","sequence":"first","affiliation":[{"name":"Laboratoire de Chimie Physique-Mati\u00e8re et Rayonnement","place":["Paris, France"]},{"name":"Sorbonne Universit\u00e9, CNRS, UMR 7614","place":["Paris, France"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Gildas","family":"Goldsztejn","sequence":"additional","affiliation":[{"name":"Universit\u00e9 Paris-Saclay, Institut des Sciences Mol\u00e9culaires d\u2019Orsay ISMO, UMR CNRS 8214","place":["Orsay, France"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6292-4688","authenticated-orcid":true,"given":"St\u00e9phane","family":"Carniato","sequence":"additional","affiliation":[{"name":"Laboratoire de Chimie Physique-Mati\u00e8re et Rayonnement","place":["Paris, France"]},{"name":"Sorbonne Universit\u00e9, CNRS, UMR 7614","place":["Paris, France"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,4,27]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1007\/BF01303701"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.55.418"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1103\/RevModPhys.70.1039"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.63.1996"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1016\/0370-1573(94)00086-I"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/0079-6425(94)90005-1"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1557\/s43578-025-01669-6"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.202400416"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1002\/smtd.202400819"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/acsaem.3c02003"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1515\/znb-1979-1027"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.38.11322"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.23.4369"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1002\/admi.202201380"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1016\/0368-2048(93)02023-F"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.66.045105"},{"key":"ref17\/cit17","unstructured":"Stavitski, E.; de Groot, F. CTM4XAS: Charge Transfer Multiplet Software 2010 https:\/\/anorg.chem.uu.nl\/CTM4XAS\/software.html (accessed November 25, 2025)."},{"key":"ref18\/cit18","unstructured":"Haverkort, M. W. Quanty: Many-body Quantum Mechanics Software, 2016. https:\/\/www.quanty.org\/ (accessed November 25, 2025)."},{"key":"ref19\/cit19","doi-asserted-by":"publisher","unstructured":"Retegan, M.\n                      mretegan\/crispy: v0.8.0\n                      ; Zenodo, 2024. 10.5281\/zenodo.1008184.","DOI":"10.5281\/zenodo.1008184"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1039\/D1CP04845G"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1016\/0368-2048(88)85020-5"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1016\/0368-2048(91)80009-J"},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"379","DOI":"10.1016\/0301-0104(91)80114-W","volume":"155","author":"Keane M. P.","year":"1991","journal-title":"Chem. Phys."},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1063\/1.464913"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1103\/physrevb.37.785"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1063\/1.476673"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1063\/1.438955"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1039\/b516184c"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.2c01870"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.3c14570"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540141112"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1063\/1.1446025"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1039\/D1CP03931H"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.107.035146"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.97.205127"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.118.096402"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.102.042801"}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.5c08494","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.5c08494","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,5,7]],"date-time":"2026-05-07T08:10:30Z","timestamp":1778141430000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpca.5c08494"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,4,27]]},"references-count":37,"journal-issue":{"issue":"18","published-print":{"date-parts":[[2026,5,7]]}},"alternative-id":["10.1021\/acs.jpca.5c08494"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpca.5c08494","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,4,27]]}}}