{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T08:25:58Z","timestamp":1782894358509,"version":"3.54.5"},"reference-count":93,"publisher":"Royal Society of Chemistry (RSC)","issue":"29","license":[{"start":{"date-parts":[[2025,6,26]],"date-time":"2025-06-26T00:00:00Z","timestamp":1750896000000},"content-version":"vor","delay-in-days":176,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc\/3.0\/"}],"funder":[{"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"}]},{"DOI":"10.13039\/100018694","name":"HORIZON EUROPE Marie Sklodowska-Curie Actions","doi-asserted-by":"publisher","award":["101062717"],"award-info":[{"award-number":["101062717"]}],"id":[{"id":"10.13039\/100018694","id-type":"DOI","asserted-by":"publisher"}]},{"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\/501100002428","name":"Austrian Science Fund","doi-asserted-by":"publisher","award":["ESP335"],"award-info":[{"award-number":["ESP335"]}],"id":[{"id":"10.13039\/501100002428","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>Projection-based density embedding combining EOM-CCSD with DFT accurately describes electronic states and magnetic properties of transition-metal adatoms on surfaces.<\/jats:p>","DOI":"10.1039\/d5cp01059d","type":"journal-article","created":{"date-parts":[[2025,6,26]],"date-time":"2025-06-26T03:40:42Z","timestamp":1750909242000},"page":"15474-15485","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Quantum-embedded equation-of-motion coupled-cluster approach to single-atom magnets on surfaces"],"prefix":"10.1039","volume":"27","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-0663-5387","authenticated-orcid":false,"given":"Maristella","family":"Alessio","sequence":"first","affiliation":[{"name":"Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Leuven, Belgium"},{"name":"Institute for Theoretical Physics, TU Wien, Wiedner Hauptstra\u00dfe 8-10\/136, 1040 Vienna, Austria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0716-6516","authenticated-orcid":false,"given":"Tobias","family":"Sch\u00e4fer","sequence":"additional","affiliation":[{"name":"Institute for Theoretical Physics, TU Wien, Wiedner Hauptstra\u00dfe 8-10\/136, 1040 Vienna, Austria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5919-424X","authenticated-orcid":false,"given":"Thomas-C.","family":"Jagau","sequence":"additional","affiliation":[{"name":"Department of Chemistry, KU Leuven, Celestijnenlaan 200F, B-3001 Leuven, Belgium"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Andreas","family":"Gr\u00fcneis","sequence":"additional","affiliation":[{"name":"Institute for Theoretical Physics, TU Wien, Wiedner Hauptstra\u00dfe 8-10\/136, 1040 Vienna, Austria"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2025]]},"reference":[{"key":"D5CP01059D\/cit1\/1","doi-asserted-by":"crossref","first-page":"420","DOI":"10.1038\/nnano.2017.18","volume":"12","author":"Choi","year":"2017","journal-title":"Nat. Nanotechnol."},{"key":"D5CP01059D\/cit2\/1","doi-asserted-by":"crossref","first-page":"226","DOI":"10.1038\/nature21371","volume":"543","author":"Natterer","year":"2017","journal-title":"Nature"},{"key":"D5CP01059D\/cit3\/1","doi-asserted-by":"crossref","first-page":"160503","DOI":"10.1063\/5.0070483","volume":"119","author":"Donati","year":"2021","journal-title":"Appl. Phys. Lett."},{"key":"D5CP01059D\/cit4\/1","doi-asserted-by":"crossref","first-page":"1885","DOI":"10.1021\/acs.chemmater.6b05433","volume":"29","author":"Graham","year":"2017","journal-title":"Chem. Mater."},{"key":"D5CP01059D\/cit5\/1","doi-asserted-by":"crossref","first-page":"11339","DOI":"10.1021\/jacs.9b00984","volume":"141","author":"Atzori","year":"2019","journal-title":"J. Am. Chem. Soc."},{"key":"D5CP01059D\/cit6\/1","doi-asserted-by":"crossref","first-page":"417","DOI":"10.1126\/science.aac8703","volume":"350","author":"Baumann","year":"2015","journal-title":"Science"},{"key":"D5CP01059D\/cit7\/1","doi-asserted-by":"crossref","first-page":"509","DOI":"10.1126\/science.aay6779","volume":"366","author":"Yang","year":"2019","journal-title":"Science"},{"key":"D5CP01059D\/cit8\/1","doi-asserted-by":"crossref","first-page":"155405","DOI":"10.1103\/PhysRevB.103.155405","volume":"103","author":"Steinbrecher","year":"2021","journal-title":"Phys. Rev. B"},{"key":"D5CP01059D\/cit9\/1","doi-asserted-by":"crossref","first-page":"5289","DOI":"10.1038\/s41467-024-49447-y","volume":"15","author":"Reale","year":"2024","journal-title":"Nat. Commun."},{"key":"D5CP01059D\/cit10\/1","doi-asserted-by":"crossref","first-page":"1021","DOI":"10.1126\/science.1125398","volume":"312","author":"Hirjibehedin","year":"2006","journal-title":"Science"},{"key":"D5CP01059D\/cit11\/1","doi-asserted-by":"crossref","first-page":"196","DOI":"10.1126\/science.1214131","volume":"335","author":"Loth","year":"2012","journal-title":"Science"},{"key":"D5CP01059D\/cit12\/1","doi-asserted-by":"crossref","first-page":"703","DOI":"10.1038\/s42254-019-0108-5","volume":"1","author":"Khajetoorians","year":"2019","journal-title":"Nat. Rev. Phys."},{"key":"D5CP01059D\/cit13\/1","first-page":"1","volume":"12","author":"Yang","year":"2024","journal-title":"Nat. Commun."},{"key":"D5CP01059D\/cit14\/1","first-page":"395","volume-title":"Molecular Magnets on Surfaces: In Silico Recipes for a Successful Marriage","author":"Briganti","year":"2023","unstructured":"M.Briganti  and  F.Totti ,  Molecular Magnets on Surfaces: In Silico Recipes for a Successful Marriage ,  Springer ,  2023 ,  pp. 395\u2013444"},{"key":"D5CP01059D\/cit15\/1","doi-asserted-by":"crossref","first-page":"4009","DOI":"10.1021\/cr0505627","volume":"105","author":"Dreuw","year":"2005","journal-title":"Chem. Rev."},{"key":"D5CP01059D\/cit16\/1","doi-asserted-by":"crossref","first-page":"289","DOI":"10.1021\/cr200107z","volume":"112","author":"Cohen","year":"2012","journal-title":"Chem. Rev."},{"key":"D5CP01059D\/cit17\/1","doi-asserted-by":"crossref","first-page":"4018","DOI":"10.1021\/jp002302t","volume":"105","author":"Feibelman","year":"2001","journal-title":"J. Phys. Chem. B"},{"key":"D5CP01059D\/cit18\/1","doi-asserted-by":"crossref","first-page":"429","DOI":"10.1021\/cr300500z","volume":"114","author":"Malrieu","year":"2014","journal-title":"Chem. Rev."},{"key":"D5CP01059D\/cit19\/1","doi-asserted-by":"crossref","first-page":"2316","DOI":"10.1002\/jcc.21221","volume":"30","author":"Rivero","year":"2009","journal-title":"J. Comput. Chem."},{"key":"D5CP01059D\/cit20\/1","doi-asserted-by":"crossref","first-page":"205123","DOI":"10.1103\/PhysRevB.81.205123","volume":"81","author":"Rivero","year":"2010","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D5CP01059D\/cit21\/1","doi-asserted-by":"crossref","first-page":"1130","DOI":"10.1126\/science.1082857","volume":"300","author":"Gambardella","year":"2003","journal-title":"Science"},{"key":"D5CP01059D\/cit22\/1","doi-asserted-by":"crossref","first-page":"123","DOI":"10.3389\/fmats.2019.00123","volume":"6","author":"Zhang","year":"2019","journal-title":"Front. Mater."},{"key":"D5CP01059D\/cit23\/1","doi-asserted-by":"crossref","first-page":"5678","DOI":"10.1021\/cr5004419","volume":"115","author":"Chung","year":"2015","journal-title":"Chem. Rev."},{"key":"D5CP01059D\/cit24\/1","doi-asserted-by":"crossref","first-page":"9760","DOI":"10.1039\/C7CP08083B","volume":"20","author":"Alessio","year":"2018","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5CP01059D\/cit25\/1","doi-asserted-by":"crossref","first-page":"1329","DOI":"10.1021\/acs.jctc.8b01122","volume":"15","author":"Alessio","year":"2019","journal-title":"J. Chem. Theory Comput."},{"key":"D5CP01059D\/cit26\/1","first-page":"325","volume":"4","author":"Jacob","year":"2014","journal-title":"Wiley Interdiscip. Rev.: Comput. Mol. Sci."},{"key":"D5CP01059D\/cit27\/1","doi-asserted-by":"crossref","first-page":"5891","DOI":"10.1021\/cr500502v","volume":"115","author":"Wesolowski","year":"2015","journal-title":"Chem. Rev."},{"key":"D5CP01059D\/cit28\/1","doi-asserted-by":"crossref","first-page":"2768","DOI":"10.1021\/ar500086h","volume":"47","author":"Libisch","year":"2014","journal-title":"Acc. Chem. Res."},{"key":"D5CP01059D\/cit29\/1","doi-asserted-by":"crossref","first-page":"011101","DOI":"10.1063\/5.0036363","volume":"154","author":"Sch\u00e4fer","year":"2021","journal-title":"J. Chem. Phys."},{"key":"D5CP01059D\/cit30\/1","doi-asserted-by":"crossref","first-page":"244103","DOI":"10.1063\/5.0074936","volume":"155","author":"Sch\u00e4fer","year":"2021","journal-title":"J. Chem. Phys."},{"key":"D5CP01059D\/cit31\/1","doi-asserted-by":"crossref","first-page":"094115","DOI":"10.1063\/1.3556707","volume":"134","author":"Zgid","year":"2011","journal-title":"J. Chem. Phys."},{"key":"D5CP01059D\/cit32\/1","doi-asserted-by":"crossref","first-page":"186404","DOI":"10.1103\/PhysRevLett.109.186404","volume":"109","author":"Knizia","year":"2012","journal-title":"Phys. Rev. Lett."},{"key":"D5CP01059D\/cit33\/1","doi-asserted-by":"crossref","first-page":"2564","DOI":"10.1021\/ct300544e","volume":"8","author":"Manby","year":"2012","journal-title":"J. Chem. Theory Comput."},{"key":"D5CP01059D\/cit34\/1","doi-asserted-by":"crossref","first-page":"064112","DOI":"10.1063\/1.5109882","volume":"151","author":"Lee","year":"2019","journal-title":"J. Chem. Phys."},{"key":"D5CP01059D\/cit35\/1","doi-asserted-by":"crossref","first-page":"5543","DOI":"10.1063\/1.1675720","volume":"55","author":"Huzinaga","year":"1971","journal-title":"J. Chem. Phys."},{"key":"D5CP01059D\/cit36\/1","doi-asserted-by":"crossref","first-page":"064107","DOI":"10.1063\/1.4960177","volume":"145","author":"H\u00e9gely","year":"2016","journal-title":"J. Chem. Phys."},{"key":"D5CP01059D\/cit37\/1","doi-asserted-by":"crossref","first-page":"222","DOI":"10.1039\/c2pc90007f","volume":"108","author":"Severo Pereira Gomes","year":"2012","journal-title":"Annu. Rep. Prog. Chem., Sect. C: Phys. Chem."},{"key":"D5CP01059D\/cit38\/1","doi-asserted-by":"crossref","first-page":"5559","DOI":"10.1021\/acs.jpclett.7b02500","volume":"8","author":"Bennie","year":"2017","journal-title":"J. Phys. Chem. Lett."},{"key":"D5CP01059D\/cit39\/1","doi-asserted-by":"crossref","first-page":"e1943029","DOI":"10.1080\/00268976.2021.1943029","volume":"119","author":"Parravicini","year":"2021","journal-title":"Mol. Phys."},{"key":"D5CP01059D\/cit40\/1","doi-asserted-by":"crossref","first-page":"224113","DOI":"10.1063\/1.4770226","volume":"137","author":"Goodpaster","year":"2012","journal-title":"J. Chem. Phys."},{"key":"D5CP01059D\/cit41\/1","doi-asserted-by":"crossref","first-page":"17028","DOI":"10.1039\/D4CP01129E","volume":"26","author":"Alessio","year":"2024","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5CP01059D\/cit42\/1","doi-asserted-by":"crossref","first-page":"15421","DOI":"10.1021\/acs.jpcc.4c04063","volume":"128","author":"Moorby","year":"2024","journal-title":"J. Phys. Chem. C"},{"key":"D5CP01059D\/cit43\/1","doi-asserted-by":"crossref","first-page":"7029","DOI":"10.1063\/1.464746","volume":"98","author":"Stanton","year":"1993","journal-title":"J. Chem. Phys."},{"key":"D5CP01059D\/cit44\/1","doi-asserted-by":"crossref","first-page":"433","DOI":"10.1146\/annurev.physchem.59.032607.093602","volume":"59","author":"Krylov","year":"2008","journal-title":"Annu. Rev. Phys. Chem."},{"key":"D5CP01059D\/cit45\/1","first-page":"566","volume":"2","author":"Sneskov","year":"2012","journal-title":"Wiley Interdiscip. Rev.: Comput. Mol. Sci."},{"key":"D5CP01059D\/cit46\/1","first-page":"126","volume":"2","author":"Bartlett","year":"2012","journal-title":"Wiley Interdiscip. Rev.: Comput. Mol. Sci."},{"key":"D5CP01059D\/cit47\/1","doi-asserted-by":"crossref","first-page":"13127","DOI":"10.1039\/C7CP07356A","volume":"20","author":"Orms","year":"2018","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5CP01059D\/cit48\/1","doi-asserted-by":"crossref","first-page":"034106","DOI":"10.1063\/1.5108762","volume":"151","author":"Pokhilko","year":"2019","journal-title":"J. Chem. Phys."},{"key":"D5CP01059D\/cit49\/1","doi-asserted-by":"crossref","first-page":"4225","DOI":"10.1021\/acs.jctc.1c00430","volume":"17","author":"Alessio","year":"2021","journal-title":"J. Chem. Theory Comput."},{"key":"D5CP01059D\/cit50\/1","doi-asserted-by":"crossref","first-page":"3647","DOI":"10.1021\/acs.jpcc.2c05940","volume":"127","author":"Alessio","year":"2023","journal-title":"J. Phys. Chem. C"},{"key":"D5CP01059D\/cit51\/1","doi-asserted-by":"crossref","first-page":"8459","DOI":"10.1021\/acs.jpca.3c04134","volume":"127","author":"K\u00e4hler","year":"2023","journal-title":"J. Phys. Chem. A"},{"key":"D5CP01059D\/cit52\/1","doi-asserted-by":"crossref","first-page":"409","DOI":"10.1016\/0009-2614(95)00841-Q","volume":"243","author":"Christiansen","year":"1995","journal-title":"Chem. Phys. Lett."},{"key":"D5CP01059D\/cit53\/1","doi-asserted-by":"crossref","first-page":"27146","DOI":"10.1039\/D2CP04574E","volume":"24","author":"Paran","year":"2022","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5CP01059D\/cit54\/1","doi-asserted-by":"crossref","first-page":"988","DOI":"10.1126\/science.1252841","volume":"344","author":"Rau","year":"2014","journal-title":"Science"},{"key":"D5CP01059D\/cit55\/1","doi-asserted-by":"crossref","first-page":"354","DOI":"10.1007\/BF00526670","volume":"10","author":"Luzanov","year":"1976","journal-title":"Theor. Exp. Chem."},{"key":"D5CP01059D\/cit56\/1","doi-asserted-by":"crossref","first-page":"338","DOI":"10.1007\/BF00520694","volume":"15","author":"Luzanov","year":"1979","journal-title":"Theor. Exp. Chem."},{"key":"D5CP01059D\/cit57\/1","doi-asserted-by":"crossref","first-page":"024106","DOI":"10.1063\/1.4885819","volume":"141","author":"Plasser","year":"2014","journal-title":"J. Chem. Phys."},{"key":"D5CP01059D\/cit58\/1","doi-asserted-by":"crossref","first-page":"024107","DOI":"10.1063\/1.4885820","volume":"141","author":"Plasser","year":"2014","journal-title":"J. Chem. Phys."},{"key":"D5CP01059D\/cit59\/1","doi-asserted-by":"crossref","first-page":"080901","DOI":"10.1063\/5.0018597","volume":"153","author":"Krylov","year":"2020","journal-title":"J. Chem. Phys."},{"key":"D5CP01059D\/cit60\/1","first-page":"e1595","volume":"12","author":"Plasser","year":"2022","journal-title":"Wiley Interdiscip. Rev.: Comput. Mol. Sci."},{"key":"D5CP01059D\/cit61\/1","doi-asserted-by":"crossref","first-page":"710","DOI":"10.1021\/acs.jctc.7b01145","volume":"14","author":"Mewes","year":"2018","journal-title":"J. Chem. Theory Comput."},{"key":"D5CP01059D\/cit62\/1","doi-asserted-by":"crossref","first-page":"4857","DOI":"10.1021\/acs.jpclett.9b02120","volume":"10","author":"Pokhilko","year":"2019","journal-title":"J. Phys. Chem. Lett."},{"key":"D5CP01059D\/cit63\/1","doi-asserted-by":"crossref","first-page":"1823","DOI":"10.1080\/00268970009483386","volume":"98","author":"Berning","year":"2000","journal-title":"Mol. Phys."},{"key":"D5CP01059D\/cit64\/1","doi-asserted-by":"crossref","first-page":"551","DOI":"10.1080\/0144235032000101743","volume":"22","author":"Fedorov","year":"2003","journal-title":"Int. Rev. Phys. Chem."},{"key":"D5CP01059D\/cit65\/1","first-page":"187","volume":"2","author":"Marian","year":"2012","journal-title":"Wiley Interdiscip. Rev.: Comput. Mol. Sci."},{"key":"D5CP01059D\/cit66\/1","doi-asserted-by":"crossref","first-page":"2146","DOI":"10.1126\/science.aat7319","volume":"362","author":"Bunting","year":"2018","journal-title":"Science"},{"key":"D5CP01059D\/cit67\/1","doi-asserted-by":"crossref","first-page":"16481","DOI":"10.1039\/c3cp52321g","volume":"15","author":"Boese","year":"2013","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D5CP01059D\/cit68\/1","doi-asserted-by":"crossref","first-page":"3865","DOI":"10.1103\/PhysRevLett.77.3865","volume":"77","author":"Perdew","year":"1996","journal-title":"Phys. Rev. Lett."},{"key":"D5CP01059D\/cit69\/1","doi-asserted-by":"crossref","first-page":"154104","DOI":"10.1063\/1.3382344","volume":"132","author":"Grimme","year":"2010","journal-title":"J. Chem. Phys."},{"key":"D5CP01059D\/cit70\/1","doi-asserted-by":"crossref","first-page":"17953","DOI":"10.1103\/PhysRevB.50.17953","volume":"50","author":"Bl\u00f6chl","year":"1994","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D5CP01059D\/cit71\/1","doi-asserted-by":"crossref","first-page":"11169","DOI":"10.1103\/PhysRevB.54.11169","volume":"54","author":"Kresse","year":"1996","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D5CP01059D\/cit72\/1","doi-asserted-by":"crossref","first-page":"943","DOI":"10.1103\/PhysRevB.44.943","volume":"44","author":"Anisimov","year":"1991","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D5CP01059D\/cit73\/1","doi-asserted-by":"crossref","first-page":"224106","DOI":"10.1063\/1.2404663","volume":"125","author":"Krukau","year":"2006","journal-title":"J. Chem. Phys."},{"key":"D5CP01059D\/cit74\/1","doi-asserted-by":"crossref","first-page":"625","DOI":"10.1103\/PhysRev.82.625","volume":"82","author":"Bohm","year":"1951","journal-title":"Phys. Rev."},{"key":"D5CP01059D\/cit75\/1","doi-asserted-by":"crossref","first-page":"609","DOI":"10.1103\/PhysRev.92.609","volume":"92","author":"Bohm","year":"1953","journal-title":"Phys. Rev."},{"key":"D5CP01059D\/cit76\/1","doi-asserted-by":"crossref","first-page":"11556","DOI":"10.1103\/PhysRevB.62.11556","volume":"62","author":"Hobbs","year":"2000","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D5CP01059D\/cit77\/1","doi-asserted-by":"crossref","first-page":"224425","DOI":"10.1103\/PhysRevB.93.224425","volume":"93","author":"Steiner","year":"2016","journal-title":"Phys. Rev. B"},{"key":"D5CP01059D\/cit78\/1","doi-asserted-by":"crossref","first-page":"558","DOI":"10.1103\/PhysRevB.47.558","volume":"47","author":"Kresse","year":"1994","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D5CP01059D\/cit79\/1","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1016\/0927-0256(96)00008-0","volume":"6","author":"Kresse","year":"1996","journal-title":"Comput. Mater. Sci."},{"key":"D5CP01059D\/cit80\/1","doi-asserted-by":"crossref","first-page":"1758","DOI":"10.1103\/PhysRevB.59.1758","volume":"59","author":"Kresse","year":"1999","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"key":"D5CP01059D\/cit81\/1","doi-asserted-by":"crossref","first-page":"6085","DOI":"10.1021\/acs.jctc.9b00682","volume":"15","author":"Claudino","year":"2019","journal-title":"J. Chem. Theory Comput."},{"key":"D5CP01059D\/cit82\/1","doi-asserted-by":"crossref","first-page":"054112","DOI":"10.1063\/1.3073302","volume":"130","author":"Rohrdanz","year":"2009","journal-title":"J. Chem. Phys."},{"key":"D5CP01059D\/cit83\/1","doi-asserted-by":"crossref","first-page":"367","DOI":"10.1002\/jcc.26941","volume":"44","author":"Kotaru","year":"2023","journal-title":"J. Comput. Chem."},{"key":"D5CP01059D\/cit84\/1","doi-asserted-by":"crossref","first-page":"51","DOI":"10.1016\/j.cplett.2004.06.011","volume":"393","author":"Yanai","year":"2004","journal-title":"Chem. Phys. Lett."},{"key":"D5CP01059D\/cit85\/1","doi-asserted-by":"crossref","first-page":"8887","DOI":"10.1063\/1.1705575","volume":"120","author":"Pedersen","year":"2004","journal-title":"J. Chem. Phys."},{"key":"D5CP01059D\/cit86\/1","doi-asserted-by":"crossref","first-page":"084801","DOI":"10.1063\/5.0055522","volume":"155","author":"Epifanovsky","year":"2021","journal-title":"J. Chem. Phys."},{"key":"D5CP01059D\/cit87\/1","doi-asserted-by":"crossref","DOI":"10.1007\/978-1-4613-4104-8","volume-title":"Quantum mechanics of one and two electron atoms","author":"Bethe","year":"1977","unstructured":"H. A.Bethe  and  E. E.Salpeter ,  Quantum mechanics of one and two electron atoms ,  Plenum ,  New York ,  1977"},{"key":"D5CP01059D\/cit88\/1","volume-title":"Relativistic Electronic Structure Theory","year":"2002","unstructured":"Relativistic Electronic Structure Theory , ed.  P. Schwerdtfeger ,  Elsevier ,  Amsterdam ,  2002"},{"key":"D5CP01059D\/cit89\/1","doi-asserted-by":"crossref","first-page":"365","DOI":"10.1016\/0009-2614(96)00119-4","volume":"251","author":"He\u00df","year":"1996","journal-title":"Chem. Phys. Lett."},{"key":"D5CP01059D\/cit90\/1","doi-asserted-by":"crossref","first-page":"214107","DOI":"10.1063\/5.0029146","volume":"153","author":"Carreras","year":"2020","journal-title":"J. Chem. Phys."},{"key":"D5CP01059D\/cit91\/1","doi-asserted-by":"crossref","first-page":"224110","DOI":"10.1063\/5.0130868","volume":"157","author":"Kotaru","year":"2022","journal-title":"J. Chem. Phys."},{"key":"D5CP01059D\/cit92\/1","doi-asserted-by":"crossref","first-page":"8","DOI":"10.1021\/ar50001a002","volume":"1","author":"El-Sayed","year":"1968","journal-title":"Acc. Chem. Res."},{"key":"D5CP01059D\/cit93\/1","doi-asserted-by":"crossref","first-page":"19964","DOI":"10.1039\/C8CP03632B","volume":"20","author":"Piccini","year":"2018","journal-title":"Phys. Chem. Chem. Phys."}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2025\/CP\/D5CP01059D","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T06:24:17Z","timestamp":1782887057000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/cp\/article\/27\/29\/15474-15485\/886305"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025]]},"references-count":93,"journal-issue":{"issue":"29","published-print":{"date-parts":[[2025,7,23]]}},"URL":"https:\/\/doi.org\/10.1039\/d5cp01059d","relation":{"has-preprint":[{"id-type":"doi","id":"10.26434\/chemrxiv-2025-8rpvf","asserted-by":"object"}]},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025]]}}}