{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,11]],"date-time":"2026-09-11T13:20:18Z","timestamp":1789132818590,"version":"build-2803163510"},"reference-count":109,"publisher":"American Chemical Society (ACS)","issue":"1","license":[{"start":{"date-parts":[[2021,12,13]],"date-time":"2021-12-13T00:00:00Z","timestamp":1639353600000},"content-version":"unspecified","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100004189","name":"Max-Planck-Gesellschaft","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100004189","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Theory Comput."],"published-print":{"date-parts":[[2022,1,11]]},"DOI":"10.1021\/acs.jctc.1c00936","type":"journal-article","created":{"date-parts":[[2021,12,13]],"date-time":"2021-12-13T10:46:47Z","timestamp":1639392407000},"page":"251-272","source":"Crossref","is-referenced-by-count":33,"title":["Stochastic Generalized Active Space Self-Consistent Field: Theory and Application"],"prefix":"10.1021","volume":"18","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-5503-1195","authenticated-orcid":true,"given":"Oskar","family":"Weser","sequence":"first","affiliation":[{"name":"Max-Planck-Institute for Solid State Research, Stuttgart, 70569, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kai","family":"Guther","sequence":"additional","affiliation":[{"name":"Max-Planck-Institute for Solid State Research, Stuttgart, 70569, Germany"},{"name":"RIKEN Center for Computational Science, 7-1-26 minatojima-minami, Chuo Kobe 650-0047, Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Khaldoon","family":"Ghanem","sequence":"additional","affiliation":[{"name":"Max-Planck-Institute for Solid State Research, Stuttgart, 70569, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3666-3880","authenticated-orcid":true,"given":"Giovanni","family":"Li Manni","sequence":"additional","affiliation":[{"name":"Max-Planck-Institute for Solid State Research, Stuttgart, 70569, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2021,12,13]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1016\/0301-0104(80)80045-0"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1002\/qua.560180822"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1088\/0031-8949\/21\/3-4\/014"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1063\/1.441359"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.6028\/jres.045.026"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9991(75)90065-0"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1137\/S0036144599363084"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1007\/s002140100285"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1007\/s00214-002-0326-1"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemphys.2008.11.021"},{"key":"ref108\/cit108","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00917"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1063\/1.3193710"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1063\/1.3302277"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1080\/00268976.2013.877165"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1063\/5.0005754"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b01190"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.7b12710"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b01277"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1002\/qua.26454"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.13.1682"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(83)80376-5"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(99)01364-0"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(19960130)17:2<178::AID-JCC5>3.0.CO;2-T"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1097-461X(1996)59:6<471::AID-QUA4>3.0.CO;2-V"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1063\/1.455063"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/j100377a011"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1063\/1.1615954"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1063\/1.3611401"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00191"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1039\/C5SC03321G"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1063\/5.0003048"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1063\/5.0005188"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.24221"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00532"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1063\/1.437351"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1063\/5.0005081"},{"key":"ref36\/cit36","author":"Bogdanov N. A.","year":"2018","journal-title":"arXiv:1803.07026"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1063\/1.1679199"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1016\/0301-0104(83)85011-3"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1063\/1.4955109"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.6b00407"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.6b01028"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1063\/1.4992127"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b00900"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b01255"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b00536"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.69.2863"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.48.10345"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1063\/1.478295"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1063\/1.1389475"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1063\/1.1593627"},{"key":"ref51\/cit51","doi-asserted-by":"crossref","unstructured":"Chan, G. K.L.; Zgid, D. In\n                      Annual Reports in Computational Chemistry\n                      ; Wheeler, R. A., Ed. Elsevier, 2009; Vol. 5, pp 149\u2013162.","DOI":"10.1016\/S1574-1400(09)00507-6"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1524\/zpch.2010.6125"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-physchem-032210-103338"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1140\/epjd\/e2014-50500-1"},{"key":"ref55\/cit55","unstructured":"Freitag, L.; Reiher, M. In\n                      Quantum Chemistry and Dynamics of Excited States: Methods and Applications\n                      ; Gonz\u00e1lez, L., Lindh, R., Eds. Wiley, 2020; Vol. 1, pp 207\u2013246."},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1063\/1.5129672"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b01170"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1063\/1.5134006"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1063\/5.0032617"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1063\/1.4904313"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.89.245124"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1063\/1.4986963"},{"key":"ref63\/cit63","unstructured":"Olsen, J. LUCIA\u2013A Configuration Interaction and Coupled Cluster Program. University of \u00c5rhus."},{"key":"ref64\/cit64","unstructured":"Li Manni, G. New Methods to Treat Strongly Correlated Systems. Ph.D. Thesis, University Gen\u00e8ve, 2013."},{"key":"ref65\/cit65","doi-asserted-by":"crossref","unstructured":"Li Manni, G.; Guther, K.; Ma, D.; Dobrautz, W. In\n                      Quantum Chemistry and Dynamics of Excited States\n                      , 1st ed. Gonz\u00e1lez, L., Lindh, R., Eds. Wiley, 2020; pp 133\u2013203.","DOI":"10.1002\/9781119417774.ch6"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1007\/s10852-009-9116-2"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1063\/1.443357"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1063\/1.455556"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1063\/1.3609809"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1145\/355744.355749"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b00844"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1063\/1.457480"},{"key":"ref73\/cit73","unstructured":"NIST\nComputational Chemistry Comparison and Benchmark Database. 2020; http:\/\/cccbdb.nist.gov\/ (accessed 12\/10\/2021)."},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1063\/1.4902991"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00429"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b01144"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1063\/1.5141358"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b01013"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1021\/cr9500500"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1021\/ja026279w"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1146\/annurev.pharmtox.45.120403.100030"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1021\/cr020443g"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1021\/jp0441442"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1021\/ct500103h"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1063\/1.4905329"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.6b00714"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.6b01005"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b00057"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.8b12479"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.0c00055"},{"key":"ref91\/cit91","doi-asserted-by":"publisher","DOI":"10.1063\/1.3021474"},{"key":"ref92\/cit92","doi-asserted-by":"publisher","DOI":"10.1063\/1.2000251"},{"key":"ref109\/cit109","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.0c00470"},{"key":"ref93\/cit93","doi-asserted-by":"publisher","DOI":"10.1039\/B713938A"},{"key":"ref94\/cit94","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b01047"},{"key":"ref95\/cit95","unstructured":"Vitale, E.; Kats, D. Results of TDCSD on Fe-porphyrin. Internal communication, 2021."},{"key":"ref96\/cit96","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.7b00466"},{"key":"ref97\/cit97","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.1c00589"},{"key":"ref98\/cit98","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.1c00397"},{"key":"ref99\/cit99","doi-asserted-by":"publisher","DOI":"10.1103\/RevModPhys.7.167"},{"key":"ref100\/cit100","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.136.B864"},{"key":"ref101\/cit101","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.140.A1133"},{"key":"ref102\/cit102","doi-asserted-by":"publisher","DOI":"10.1021\/ct500483t"},{"key":"ref103\/cit103","doi-asserted-by":"publisher","DOI":"10.1039\/C8CP01807C"},{"key":"ref104\/cit104","doi-asserted-by":"publisher","DOI":"10.1063\/1.5116699"},{"key":"ref105\/cit105","doi-asserted-by":"publisher","DOI":"10.1063\/1.4720076"},{"key":"ref106\/cit106","doi-asserted-by":"publisher","DOI":"10.1063\/1.3681396"},{"key":"ref107\/cit107","doi-asserted-by":"publisher","DOI":"10.1063\/1.3525712"}],"container-title":["Journal of Chemical Theory and Computation"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jctc.1c00936","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jctc.1c00936","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,27]],"date-time":"2023-04-27T05:38:23Z","timestamp":1682573903000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jctc.1c00936"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,12,13]]},"references-count":109,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2022,1,11]]}},"alternative-id":["10.1021\/acs.jctc.1c00936"],"URL":"https:\/\/doi.org\/10.1021\/acs.jctc.1c00936","relation":{"has-preprint":[{"id-type":"doi","id":"10.26434\/chemrxiv-2021-lk7rg-v2","asserted-by":"object"},{"id-type":"doi","id":"10.26434\/chemrxiv-2021-lk7rg","asserted-by":"object"}]},"ISSN":["1549-9618","1549-9626"],"issn-type":[{"value":"1549-9618","type":"print"},{"value":"1549-9626","type":"electronic"}],"subject":[],"published":{"date-parts":[[2021,12,13]]}}}