{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,9]],"date-time":"2026-04-09T05:47:36Z","timestamp":1775713656461,"version":"3.50.1"},"reference-count":61,"publisher":"American Chemical Society (ACS)","issue":"49","license":[{"start":{"date-parts":[[2020,11,25]],"date-time":"2020-11-25T00:00:00Z","timestamp":1606262400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2020,11,25]],"date-time":"2020-11-25T00:00:00Z","timestamp":1606262400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2020,11,25]],"date-time":"2020-11-25T00:00:00Z","timestamp":1606262400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/100000015","name":"U.S. Department of Energy","doi-asserted-by":"publisher","award":["DE-SC0015997"],"award-info":[{"award-number":["DE-SC0015997"]}],"id":[{"id":"10.13039\/100000015","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22073073"],"award-info":[{"award-number":["22073073"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2020,12,10]]},"DOI":"10.1021\/acs.jpca.0c08948","type":"journal-article","created":{"date-parts":[[2020,11,25]],"date-time":"2020-11-25T07:11:17Z","timestamp":1606288277000},"page":"10132-10142","source":"Crossref","is-referenced-by-count":26,"title":["Neural Network Based Quasi-diabatic Representation for S<sub>0<\/sub> and S<sub>1<\/sub> States of Formaldehyde"],"prefix":"10.1021","volume":"124","author":[{"given":"Yafu","family":"Guan","sequence":"first","affiliation":[{"name":"Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Changjian","family":"Xie","sequence":"additional","affiliation":[{"name":"Institute of Modern Physics, Northwest University, Xi\u2019an, Shaanxi 710069, People\u2019s Republic of China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9901-053X","authenticated-orcid":true,"given":"Hua","family":"Guo","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5446-1350","authenticated-orcid":true,"given":"David R.","family":"Yarkony","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2020,11,25]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","DOI":"10.1039\/9781788013642","volume-title":"Theoretical chemistry for electronic excited states","volume":"12","author":"Robb M. A.","year":"2018"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1103\/RevModPhys.68.985"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/ar970113w"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.7b00423"},{"key":"ref5\/cit5","doi-asserted-by":"crossref","DOI":"10.1142\/5406","volume-title":"Conical intersections: electronic structure, dynamics and spectroscopy","volume":"15","author":"Domcke W.","year":"2004"},{"key":"ref6\/cit6","doi-asserted-by":"crossref","DOI":"10.1142\/7803","volume-title":"Conical intersections: theory, computation and experiment","volume":"17","author":"Domcke W.","year":"2011"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.83"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.6b03288"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.7b11489"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1039\/c001671c"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1002\/qua.24891"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1063\/1.4943571"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.0c01278"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00282"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.pc.34.100183.002521"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-physchem-050317-020929"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1126\/science.1104386"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1063\/1.4983138"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1063\/1.437353"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1063\/1.445799"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1063\/1.455821"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1063\/1.476315"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/jp803152g"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/jp048339l"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1098\/rsta.2016.0194"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/ja201559r"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1063\/1.3085952"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1039\/C7CS00578D"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.0c00074"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1063\/1.2840356"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1063\/1.4867252"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1063\/1.4979902"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1063\/1.5063907"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1016\/0301-0104(76)89006-4"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1063\/1.443853"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1016\/S0370-1573(01)00052-7"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1063\/1.3324982"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1063\/1.4704789"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1063\/1.4734315"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1063\/1.5099106"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1063\/1.4857335"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1063\/1.4978708"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.9b03801"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00898"},{"key":"ref45\/cit45","volume-title":"Molecular symmetry and spectroscopy","author":"Bunker P. R.","year":"2006"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1063\/1.4817187"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1063\/1.5054310"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1063\/1.1329644"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1109\/72.329697"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1039\/b008063m"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1063\/1.1668615"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1039\/c1cp21668f"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1063\/1.4801658"},{"key":"ref54\/cit54","volume-title":"ANT 2012","author":"Li Z. H.","year":"2012"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/ct9004917"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/jp109549r"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/jp970137k"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1063\/1.465993"},{"key":"ref59\/cit59","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-662-12869-5","volume-title":"Quantum mechanics of one-and two-electron atoms","author":"Bethe H. A.","year":"1957"},{"key":"ref60\/cit60","doi-asserted-by":"crossref","unstructured":"Langhoff, S. R.; Kern, C. W. Applications of Electronic Structure Theory; Springer, 1977; pp 381\u2013437.","DOI":"10.1007\/978-1-4684-8541-7_10"},{"key":"ref61\/cit61","unstructured":"Werner, H.J.; Knowles, P. J.; Knizia, G.; Manby, F. R.; Sch\u00fctz, M.; Celani, P.; Korona, T.; Lindh, R.; Mitrushenkov, A.; Rauhut, G.  MOLPRO, ver. 2012.1, a package of ab initio programs; 2012; see http:\/\/www.molpro.net."}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.0c08948","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,27]],"date-time":"2023-04-27T15:20:51Z","timestamp":1682608851000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpca.0c08948"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,11,25]]},"references-count":61,"journal-issue":{"issue":"49","published-print":{"date-parts":[[2020,12,10]]}},"alternative-id":["10.1021\/acs.jpca.0c08948"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpca.0c08948","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2020,11,25]]}}}