{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,18]],"date-time":"2026-06-18T08:53:28Z","timestamp":1781772808958,"version":"3.54.5"},"reference-count":85,"publisher":"American Chemical Society (ACS)","issue":"24","license":[{"start":{"date-parts":[[2026,6,9]],"date-time":"2026-06-09T00:00:00Z","timestamp":1780963200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,6,9]],"date-time":"2026-06-09T00:00:00Z","timestamp":1780963200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,6,9]],"date-time":"2026-06-09T00:00:00Z","timestamp":1780963200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100012166","name":"National Key Research and Development Program of China","doi-asserted-by":"publisher","award":["2023YFB3001900"],"award-info":[{"award-number":["2023YFB3001900"]}],"id":[{"id":"10.13039\/501100012166","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22173114"],"award-info":[{"award-number":["22173114"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22333003"],"award-info":[{"award-number":["22333003"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22573108"],"award-info":[{"award-number":["22573108"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["92361302"],"award-info":[{"award-number":["92361302"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002367","name":"Chinese Academy of Sciences","doi-asserted-by":"publisher","award":["2022168"],"award-info":[{"award-number":["2022168"]}],"id":[{"id":"10.13039\/501100002367","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002367","name":"Chinese Academy of Sciences","doi-asserted-by":"publisher","award":["E455F001"],"award-info":[{"award-number":["E455F001"]}],"id":[{"id":"10.13039\/501100002367","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002367","name":"Chinese Academy of Sciences","doi-asserted-by":"publisher","award":["XDB0500101"],"award-info":[{"award-number":["XDB0500101"]}],"id":[{"id":"10.13039\/501100002367","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. Lett."],"published-print":{"date-parts":[[2026,6,18]]},"DOI":"10.1021\/acs.jpclett.6c01503","type":"journal-article","created":{"date-parts":[[2026,6,9]],"date-time":"2026-06-09T12:08:32Z","timestamp":1781006912000},"page":"6858-6865","source":"Crossref","is-referenced-by-count":0,"title":["Scalable and Physics-Informed Multireference Implementation with Spin\u2013Orbit Couplings via Modern HPC Clusters"],"prefix":"10.1021","volume":"17","author":[{"given":"Runfeng","family":"Jin","sequence":"first","affiliation":[{"name":"Computer Network Information Center","place":["Beijing, China"]},{"name":"Chinese Academy of Sciences","place":["Beijing, China"]},{"name":"University of Chinese Academy of Sciences","place":["Beijing, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Chen","family":"Li","sequence":"additional","affiliation":[{"name":"Computer Network Information Center","place":["Beijing, China"]},{"name":"Chinese Academy of Sciences","place":["Beijing, China"]},{"name":"University of Chinese Academy of Sciences","place":["Beijing, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Xinyu","family":"Sun","sequence":"additional","affiliation":[{"name":"School of Chemistry and Chemical Engineering","place":["Qingdao, China"]},{"name":"Shandong University","place":["Qingdao, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wenhao","family":"Liang","sequence":"additional","affiliation":[{"name":"Computer Network Information Center","place":["Beijing, China"]},{"name":"Chinese Academy of Sciences","place":["Beijing, China"]},{"name":"University of Chinese Academy of Sciences","place":["Beijing, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Lianhua","family":"He","sequence":"additional","affiliation":[{"name":"Computer Network Information Center","place":["Beijing, China"]},{"name":"Chinese Academy of Sciences","place":["Beijing, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7915-3429","authenticated-orcid":true,"given":"Haibo","family":"Ma","sequence":"additional","affiliation":[{"name":"School of Chemistry and Chemical Engineering","place":["Qingdao, China"]},{"name":"Shandong University","place":["Qingdao, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0006-1127-5183","authenticated-orcid":true,"given":"Jun-Bo","family":"Lu","sequence":"additional","affiliation":[{"name":"Fundamental Science Center of Rare Earths, Ganjiang Innovation Academy","place":["Ganzhou, China"]},{"name":"Chinese Academy of Sciences","place":["Ganzhou, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhong","family":"Jin","sequence":"additional","affiliation":[{"name":"Computer Network Information Center","place":["Beijing, China"]},{"name":"Chinese Academy of Sciences","place":["Beijing, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8165-182X","authenticated-orcid":true,"given":"Yingjin","family":"Ma","sequence":"additional","affiliation":[{"name":"Computer Network Information Center","place":["Beijing, China"]},{"name":"Chinese Academy of Sciences","place":["Beijing, China"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,6,9]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.9b00496"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.8b00244"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/cr200168z"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/cr200137a"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/cr2001417"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1063\/1.2805369"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1039\/C4CP05278A"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/ct400046n"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1063\/1.3611401"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1063\/1.4981527"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1063\/1.4955109"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1063\/1.3302277"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1063\/1.3407895"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1063\/1.478295"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1002\/1097-461X(2000)79:6<331::AID-QUA1>3.0.CO;2-Y"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1063\/1.1449459"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1063\/1.4939000"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1063\/1.4944921"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1063\/1.4976644"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1063\/1.2883976"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1063\/1.2883981"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.6b01118"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.2c00435"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1038\/s41557-019-0337-3"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.6b00407"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.6b00970"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b01099"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.6b01028"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b01200"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b00536"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.26518"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1088\/2516-1075\/abe192"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1038\/s41567-018-0048-5"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1002\/qute.201800077"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1063\/5.0214150"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1038\/s41524-024-01406-3"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1140\/epjp\/s13360-024-05311-y"},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"1646","DOI":"10.1145\/3712285.3759800","volume-title":"Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis","author":"Kan B.","year":"2025"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.4c01703"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.26476"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1063\/5.0050902"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.2174\/2210298103666221125162959"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.27085"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.109.195148"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.4c00903"},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"1103","DOI":"10.1145\/3673038.3673098","volume-title":"Proceedings of the 53rd International Conference on Parallel Processing","author":"Jin R.","year":"2024"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1063\/1.3275806"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1063\/1.3629454"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1063\/1.4900878"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1063\/1.4816627"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00270"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1063\/1.4928643"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b00613"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1063\/1.4939752"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.6b00898"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1063\/1.5129672"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.1c04078"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.2c01316"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.3c01247"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.4c00679"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b00439"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.26424"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1063\/1.2741527"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1063\/1.3596482"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1088\/2516-1075\/ab72db"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(02)00498-0"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1063\/1.2137315"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1080\/00268970802258591"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1080\/00268971003781571"},{"key":"ref70\/cit70","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-642-40766-6","volume-title":"Handbook of relativistic quantum chemistry","author":"Liu W.","year":"2017"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(96)00119-4"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1039\/C9CP06417F"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1063\/1.4959280"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1039\/C6CP05284C"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5c01870"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.200700128"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1021\/ja00456a028"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1063\/1.5020079"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.200600051"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1063\/1.1569243"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2003.09.047"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1002\/qua.1202"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1063\/1.474590"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.10049"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1021\/ja000984s"}],"container-title":["The Journal of Physical Chemistry Letters"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpclett.6c01503","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpclett.6c01503","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,6,18]],"date-time":"2026-06-18T08:14:06Z","timestamp":1781770446000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpclett.6c01503"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,6,9]]},"references-count":85,"journal-issue":{"issue":"24","published-print":{"date-parts":[[2026,6,18]]}},"alternative-id":["10.1021\/acs.jpclett.6c01503"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpclett.6c01503","relation":{},"ISSN":["1948-7185","1948-7185"],"issn-type":[{"value":"1948-7185","type":"print"},{"value":"1948-7185","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,6,9]]}}}