{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,2]],"date-time":"2026-09-02T16:51:52Z","timestamp":1788367912710,"version":"build-2803163510"},"reference-count":96,"publisher":"American Chemical Society (ACS)","issue":"19","license":[{"start":{"date-parts":[[2025,10,3]],"date-time":"2025-10-03T00:00:00Z","timestamp":1759449600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2025,10,3]],"date-time":"2025-10-03T00:00:00Z","timestamp":1759449600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2025,10,3]],"date-time":"2025-10-03T00:00:00Z","timestamp":1759449600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"name":"Note that we don't have funding"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Theory Comput."],"published-print":{"date-parts":[[2025,10,14]]},"DOI":"10.1021\/acs.jctc.5c01305","type":"journal-article","created":{"date-parts":[[2025,10,3]],"date-time":"2025-10-03T04:02:38Z","timestamp":1759464158000},"page":"9620-9630","source":"Crossref","is-referenced-by-count":4,"title":["Operator Formalism for Noncollinear Functionals in the Multicollinear Approach"],"prefix":"10.1021","volume":"21","author":[{"ORCID":"https:\/\/orcid.org\/0009-0009-4178-3519","authenticated-orcid":true,"given":"Xiaoyu","family":"Zhang","sequence":"first","affiliation":[{"name":"College of Chemistry and Molecular Engineering","place":["Beijing, The People\u2019s Republic of China"]},{"name":"Peking University","place":["Beijing, The People\u2019s Republic of China"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Taoni","family":"Bao","sequence":"additional","affiliation":[{"name":"School of Physics","place":["Beijing, The People\u2019s Republic of China"]},{"name":"Peking University","place":["Beijing, The People\u2019s Republic of China"]},{"name":"Center for Applied Physics and Technology","place":["Beijing, The People\u2019s Republic of China"]},{"name":"Peking University","place":["Beijing, The People\u2019s Republic of China"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2025,10,3]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.140.A1133"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1088\/0022-3719\/5\/13\/012"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.3c00059"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.111.156401"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1088\/0305-4608\/18\/3\/018"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1139\/p80-159"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.75.125119"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1063\/5.0051447"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1063\/5.0005094"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.98.196405"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1039\/C8CS00175H"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/ct300441z"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.46.6671"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.38.3098"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1063\/1.454274"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1139\/v89-073"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(96)01496-0"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b00104"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevResearch.5.013036"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.96.035141"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.133.136401"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5c00115"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.53.3764"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1080\/00268971003781571"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1097-461X(1996)57:3<281::AID-QUA2>3.0.CO;2-U"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1063\/1.476576"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1063\/1.4758987"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.3c00347"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.48.1425"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.21.2630"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.47.4238"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.64.073106"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.48.4197"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1063\/5.0260762"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.98.035140"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.87.206403"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmmm.2023.171098"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1002\/adma.202200327"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.4c01218"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.87.035117"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1063\/1.1545679"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1063\/1.1844299"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1063\/1.4714499"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1063\/1.3676736"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5c00714"},{"key":"ref46\/cit46","unstructured":"Zhang, X. https:\/\/github.com\/YuleZhang936\/NCXC."},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1063\/1.464913"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1063\/1.4993215"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1063\/1.5090222"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1016\/j.commatsci.2015.07.004"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1687"},{"key":"ref52\/cit52","unstructured":"The\nFLEUR Project\n                      . https:\/\/www.flapw.de\/."},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1017\/S0305004100016108"},{"key":"ref54\/cit54","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-642-95002-5","volume-title":"Elektronentheorie der Metalle","author":"Sommerfeld A.","year":"1967"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.23.5048"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.77.3865"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.37.785"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.100.136406"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.33.8822"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1080\/00268970010018431"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1016\/j.softx.2017.11.002"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1063\/1.5012601"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1088\/0953-8984\/1\/51\/015"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.62.5564"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.24.864"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.69.024415"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1016\/j.physb.2009.06.070"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.66.014447"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.95.146802"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1126\/science.1133734"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1126\/science.1148047"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.98.106803"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1038\/nature06843"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.75.121306"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.76.045302"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1038\/nphys1274"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1038\/nphys1270"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1088\/1367-2630\/12\/6\/065013"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.74.205113"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1126\/science.1173034"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1126\/science.1167747"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.56.12847"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1063\/1.3129035"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1063\/1.464304"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1063\/1.1736034"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemmater.9b00708"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1039\/C9EE01529A"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.49.4565"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1063\/1.4812323"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1016\/j.commatsci.2012.02.002"},{"key":"ref91\/cit91","doi-asserted-by":"publisher","DOI":"10.1007\/s11837-013-0755-4"},{"key":"ref92\/cit92","volume-title":"CRC Handbook of Chemistry and Physics","author":"Lide D. R.","year":"2005","edition":"86"},{"key":"ref93\/cit93","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.9.5203"},{"key":"ref94\/cit94","doi-asserted-by":"publisher","DOI":"10.1063\/1.4828864"},{"key":"ref95\/cit95","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.84.244"},{"key":"ref96\/cit96","doi-asserted-by":"publisher","DOI":"10.1063\/1.2733666"}],"container-title":["Journal of Chemical Theory and Computation"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jctc.5c01305","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jctc.5c01305","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,14]],"date-time":"2025-10-14T08:20:00Z","timestamp":1760430000000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jctc.5c01305"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2025,10,3]]},"references-count":96,"journal-issue":{"issue":"19","published-print":{"date-parts":[[2025,10,14]]}},"alternative-id":["10.1021\/acs.jctc.5c01305"],"URL":"https:\/\/doi.org\/10.1021\/acs.jctc.5c01305","relation":{},"ISSN":["1549-9618","1549-9626"],"issn-type":[{"value":"1549-9618","type":"print"},{"value":"1549-9626","type":"electronic"}],"subject":[],"published":{"date-parts":[[2025,10,3]]}}}