{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,2]],"date-time":"2026-09-02T07:29:36Z","timestamp":1788334176220,"version":"build-2803163510"},"reference-count":93,"publisher":"American Chemical Society (ACS)","issue":"28","license":[{"start":{"date-parts":[[2024,7,2]],"date-time":"2024-07-02T00:00:00Z","timestamp":1719878400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100006151","name":"Basic Energy Sciences","doi-asserted-by":"publisher","award":["DE-SC0024532"],"award-info":[{"award-number":["DE-SC0024532"]}],"id":[{"id":"10.13039\/100006151","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100001082","name":"Camille and Henry Dreyfus Foundation","doi-asserted-by":"publisher","award":["TC-18-045"],"award-info":[{"award-number":["TC-18-045"]}],"id":[{"id":"10.13039\/100001082","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. Lett."],"published-print":{"date-parts":[[2024,7,18]]},"DOI":"10.1021\/acs.jpclett.4c01372","type":"journal-article","created":{"date-parts":[[2024,7,2]],"date-time":"2024-07-02T19:56:53Z","timestamp":1719950213000},"page":"7103-7110","source":"Crossref","is-referenced-by-count":13,"title":["Toward Accurate Spin\u2013Orbit Splittings from Relativistic Multireference Electronic Structure Theory"],"prefix":"10.1021","volume":"15","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-0399-2968","authenticated-orcid":true,"given":"Zijun","family":"Zhao","sequence":"first","affiliation":[{"name":"Department of Chemistry and Cherry Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7917-6652","authenticated-orcid":true,"given":"Francesco A.","family":"Evangelista","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Cherry Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2024,7,2]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.60.2808"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1063\/1.2404666"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-physchem-032511-143755"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.2c00578"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.2c03599"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.7b00130"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/jp506287z"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/jz201124j"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/jz302146m"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/jz402544r"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.0c02135"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.2c00207"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b00989"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1063\/5.0115796"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b01099"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1063\/1.4948308"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.6b01028"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b01200"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.0c00437"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.2c00802"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1063\/1.3193710"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1063\/1.3302277"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.105.263004"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1063\/1.465195"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1063\/5.0053674"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1088\/0953-8984\/22\/2\/023201"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.90.136401"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1103\/RevModPhys.77.259"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.48.10345"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.69.2863"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1140\/epjd\/e2014-50500-1"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/cr2001417"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1063\/1.5039496"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.201100682"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1063\/1.2968136"},{"key":"ref36\/cit36","doi-asserted-by":"crossref","DOI":"10.1093\/oso\/9780195140866.001.0001","volume-title":"Introduction to Relativistic Quantum Chemistry","author":"Dyall K. G.","year":"2007"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1063\/1.5036594"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1063\/1.4906344"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1063\/1.2943670"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1063\/1.471644"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1063\/5.0004844"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1331"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1436"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1340"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1063\/5.0006074"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1063\/5.0005094"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1007\/s002140050251"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1063\/1.1349076"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1063\/1.1476694"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1063\/5.0029863"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1088\/1361-648X\/ac5db4"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.2c01025"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00754"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1021\/jp409426n"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.2c00171"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1063\/1.4890660"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-physchem-042018-052416"},{"key":"ref58\/cit58","doi-asserted-by":"crossref","DOI":"10.1002\/9783527667550","volume-title":"Relativistic Quantum Chemistry: The Fundamental Theory of Molecular Science","author":"Reiher M.","year":"2014","edition":"1"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1063\/1.447865"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.23981"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.57.1091"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1063\/5.0133741"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1063\/1.440892"},{"key":"ref64\/cit64","doi-asserted-by":"crossref","DOI":"10.1002\/9781119019572","volume-title":"Molecular Electronic-Structure Theory","author":"Helgaker T.","year":"2000","edition":"1"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1063\/1.3559149"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1063\/1.3592786"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1063\/1.4718704"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1063\/1.474405"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(97)00714-8"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1002\/andp.19945060203"},{"key":"ref71\/cit71","doi-asserted-by":"crossref","DOI":"10.1007\/3-540-34068-8","volume-title":"The Flow Equation Approach to Many-Particle Systems","volume":"217","author":"Kehrein S.","year":"2006"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(95)01010-7"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.1c03468"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.2c00966"},{"key":"ref75\/cit75","unstructured":"Zhao, Z. brianz98\/4c-DSRG-MRPT (accessed on June 25, 2024). https:\/\/github.com\/brianz98\/4c-DSRG-MRPT."},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1063\/5.0097858"},{"key":"ref77\/cit77","unstructured":"Kramida, A.; Ralchenko, Y. NIST Atomic Spectra Database, NIST Standard Reference Database 78, NIST, 1999."},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.21105\/joss.03021"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1109\/MCSE.2007.55"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1063\/1.456153"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1063\/1.464303"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1063\/1.478678"},{"key":"ref83\/cit83","doi-asserted-by":"crossref","DOI":"10.1093\/hesc\/9780199541423.001.0001","volume-title":"Molecular Quantum Mechanics","author":"Atkins P. W.","year":"2010","edition":"5"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1063\/1.471636"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1088\/1009-1963\/15\/5\/022"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1063\/1.3694132"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1088\/1367-2630\/17\/4\/045014"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1186\/s13321-020-00433-8"},{"key":"ref89\/cit89","doi-asserted-by":"crossref","DOI":"10.1007\/978-1-4757-0961-2","volume-title":"Molecular Spectra and Molecular Structure","author":"Huber K. P.","year":"1979"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1063\/1.3239505"},{"key":"ref91\/cit91","doi-asserted-by":"publisher","DOI":"10.1063\/1.5023750"},{"key":"ref92\/cit92","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.2c02181"},{"key":"ref93\/cit93","doi-asserted-by":"publisher","DOI":"10.1063\/5.0095112"}],"container-title":["The Journal of Physical Chemistry Letters"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpclett.4c01372","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpclett.4c01372","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,7,18]],"date-time":"2024-07-18T08:12:07Z","timestamp":1721290327000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpclett.4c01372"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,7,2]]},"references-count":93,"journal-issue":{"issue":"28","published-print":{"date-parts":[[2024,7,18]]}},"alternative-id":["10.1021\/acs.jpclett.4c01372"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpclett.4c01372","relation":{},"ISSN":["1948-7185","1948-7185"],"issn-type":[{"value":"1948-7185","type":"print"},{"value":"1948-7185","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,7,2]]}}}