{"id":"https://openalex.org/W2059613792","doi":"https://doi.org/10.1016/0022-2852(76)90131-4","title":"The electronic spectra of benzene and its conjugated isomers: A full perturbative CI approach","display_name":"The electronic spectra of benzene and its conjugated isomers: A full perturbative CI approach","publication_year":1976,"publication_date":"1976-03-01","ids":{"openalex":"https://openalex.org/W2059613792","doi":"https://doi.org/10.1016/0022-2852(76)90131-4","mag":"2059613792"},"language":"en","primary_location":{"id":"doi:10.1016/0022-2852(76)90131-4","doi":"https://doi.org/10.1016/0022-2852(76)90131-4","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0022-2852(76)90131-4","pdf_url":null,"source":{"id":"https://openalex.org/S77654513","display_name":"Journal of Molecular Spectroscopy","issn_l":"0022-2852","issn":["0022-2852","1096-083X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-70","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Spectroscopy","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5021268004","display_name":"P. Rancurel","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I2800004676","display_name":"Observatoire de Paris","ror":"https://ror.org/029nkcm90","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I2746051580","https://openalex.org/I2800004676"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"P Rancurel","raw_affiliation_strings":["Observatoire de Paris-Meudon, 94190 Meudon, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Observatoire de Paris-Meudon, 94190 Meudon, France","institution_ids":["https://openalex.org/I2800004676"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038794042","display_name":"B. Huron","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I2800004676","display_name":"Observatoire de Paris","ror":"https://ror.org/029nkcm90","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I2746051580","https://openalex.org/I2800004676"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"B Huron","raw_affiliation_strings":["Observatoire de Paris-Meudon, 94190 Meudon, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Observatoire de Paris-Meudon, 94190 Meudon, France","institution_ids":["https://openalex.org/I2800004676"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067377797","display_name":"Lionel Praud","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I2800004676","display_name":"Observatoire de Paris","ror":"https://ror.org/029nkcm90","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I2746051580","https://openalex.org/I2800004676"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"L Praud","raw_affiliation_strings":["Observatoire de Paris-Meudon, 94190 Meudon, France","Laboratoire de Chimie de l'E.N.S.J.F. (E.R.A. No470), 1 rue Maurice Arnoux, 92120 Montrouge, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Observatoire de Paris-Meudon, 94190 Meudon, France","institution_ids":["https://openalex.org/I2800004676"]},{"raw_affiliation_string":"Laboratoire de Chimie de l'E.N.S.J.F. (E.R.A. No470), 1 rue Maurice Arnoux, 92120 Montrouge, France","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076692616","display_name":"Jean\u2010Paul Malrieu","orcid":"https://orcid.org/0000-0003-0868-8391","observed_orcids":["https://orcid.org/0000-0003-0868-8391"]},"institutions":[{"id":"https://openalex.org/I2800004676","display_name":"Observatoire de Paris","ror":"https://ror.org/029nkcm90","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I2746051580","https://openalex.org/I2800004676"]},{"id":"https://openalex.org/I4210094297","display_name":"Laboratoire de Biochimie Th\u00e9orique","ror":"https://ror.org/00nvjgv40","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I204730241","https://openalex.org/I4210094297","https://openalex.org/I4210128300"]},{"id":"https://openalex.org/I4210107423","display_name":"Institut de Biologie Physico-Chimique","ror":"https://ror.org/01na0pb61","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I4210096427","https://openalex.org/I4210107423"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"J.P Malrieu","raw_affiliation_strings":["Observatoire de Paris-Meudon, 94190 Meudon, France","Laboratoire de Biochimie Th\u00e9orique (L.A. No77) Institut de Biologie Physico-Chimique, 13 rue Pierre et Marie Curie, 75005 Paris, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Observatoire de Paris-Meudon, 94190 Meudon, France","institution_ids":["https://openalex.org/I2800004676"]},{"raw_affiliation_string":"Laboratoire de Biochimie Th\u00e9orique (L.A. No77) Institut de Biologie Physico-Chimique, 13 rue Pierre et Marie Curie, 75005 Paris, France","institution_ids":["https://openalex.org/I4210094297","https://openalex.org/I4210107423"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5110054073","display_name":"Gaston Berthier","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I2800004676","display_name":"Observatoire de Paris","ror":"https://ror.org/029nkcm90","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I2746051580","https://openalex.org/I2800004676"]},{"id":"https://openalex.org/I4210094297","display_name":"Laboratoire de Biochimie Th\u00e9orique","ror":"https://ror.org/00nvjgv40","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I204730241","https://openalex.org/I4210094297","https://openalex.org/I4210128300"]},{"id":"https://openalex.org/I4210107423","display_name":"Institut de Biologie Physico-Chimique","ror":"https://ror.org/01na0pb61","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I4210096427","https://openalex.org/I4210107423"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"G Berthier","raw_affiliation_strings":["Observatoire de Paris-Meudon, 94190 Meudon, France","Laboratoire de Biochimie Th\u00e9orique (L.A. No77) Institut de Biologie Physico-Chimique, 13 rue Pierre et Marie Curie, 75005 Paris, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Observatoire de Paris-Meudon, 94190 Meudon, France","institution_ids":["https://openalex.org/I2800004676"]},{"raw_affiliation_string":"Laboratoire de Biochimie Th\u00e9orique (L.A. No77) Institut de Biologie Physico-Chimique, 13 rue Pierre et Marie Curie, 75005 Paris, France","institution_ids":["https://openalex.org/I4210094297","https://openalex.org/I4210107423"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":3310,"currency":"USD","value_usd":3310},"apc_paid":null,"fwci":1.4894,"has_fulltext":false,"cited_by_count":53,"citation_normalized_percentile":{"value":0.80056685,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"60","issue":"1-3","first_page":"259","last_page":"276"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9785000085830688,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9785000085830688,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.009600000455975533,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11298","display_name":"Synthesis and Properties of Aromatic Compounds","score":0.002199999988079071,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/benzene","display_name":"benzene","score":0.9480000138282776},{"id":"https://openalex.org/keywords/fulvenes","display_name":"fulvenes","score":0.9769999980926514},{"id":"https://openalex.org/keywords/electronic-spectra","display_name":"electronic spectra","score":0.8690000176429749},{"id":"https://openalex.org/keywords/transition-energies","display_name":"transition energies","score":0.746999979019165},{"id":"https://openalex.org/keywords/oscillator-strengths","display_name":"oscillator strengths","score":0.9559999704360962},{"id":"https://openalex.org/keywords/pi-pi-transition","display_name":"\u03c0\u2192\u03c0* transitions","score":0.9120000004768372},{"id":"https://openalex.org/keywords/cipsi","display_name":"CIPSI","score":0.6209999918937683},{"id":"https://openalex.org/keywords/multiconfigurational-perturbation-theory","display_name":"multiconfigurational perturbation theory","score":0.9100000262260437},{"id":"https://openalex.org/keywords/ground-state-stability","display_name":"ground state stability","score":0.6589999794960022},{"id":"https://openalex.org/keywords/dipole-moment","display_name":"dipole moment","score":0.9539999961853027}],"concepts":[{"id":"https://openalex.org/C113603373","wikidata":"https://www.wikidata.org/wiki/Q2362761","display_name":"Wave function","level":2,"score":0.6007349491119385},{"id":"https://openalex.org/C173523689","wikidata":"https://www.wikidata.org/wiki/Q215589","display_name":"Dipole","level":2,"score":0.5693032145500183},{"id":"https://openalex.org/C65956243","wikidata":"https://www.wikidata.org/wiki/Q2664086","display_name":"Basis set","level":3,"score":0.5612777471542358},{"id":"https://openalex.org/C72319582","wikidata":"https://www.wikidata.org/wiki/Q584304","display_name":"Degenerate energy levels","level":2,"score":0.5176258683204651},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.5117921233177185},{"id":"https://openalex.org/C181500209","wikidata":"https://www.wikidata.org/wiki/Q215328","display_name":"Excited state","level":2,"score":0.5067330002784729},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.5055174827575684},{"id":"https://openalex.org/C69523127","wikidata":"https://www.wikidata.org/wiki/Q4480008","display_name":"Ground state","level":2,"score":0.5043655633926392},{"id":"https://openalex.org/C21074235","wikidata":"https://www.wikidata.org/wiki/Q3537681","display_name":"Molecular electronic transition","level":3,"score":0.45982125401496887},{"id":"https://openalex.org/C189394030","wikidata":"https://www.wikidata.org/wiki/Q53860","display_name":"Atomic orbital","level":3,"score":0.45298442244529724},{"id":"https://openalex.org/C2777529809","wikidata":"https://www.wikidata.org/wiki/Q900672","display_name":"Configuration interaction","level":3,"score":0.4448699951171875},{"id":"https://openalex.org/C2182769","wikidata":"https://www.wikidata.org/wiki/Q62500","display_name":"Ionic bonding","level":3,"score":0.4243803024291992},{"id":"https://openalex.org/C174256460","wikidata":"https://www.wikidata.org/wiki/Q911364","display_name":"Perturbation theory (quantum mechanics)","level":2,"score":0.4164007604122162},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.41078031063079834},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.23576724529266357},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.2177867293357849},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.08020025491714478},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/0022-2852(76)90131-4","doi":"https://doi.org/10.1016/0022-2852(76)90131-4","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0022-2852(76)90131-4","pdf_url":null,"source":{"id":"https://openalex.org/S77654513","display_name":"Journal of Molecular Spectroscopy","issn_l":"0022-2852","issn":["0022-2852","1096-083X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","norway-1","poland-70","russia-white-list-2"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Spectroscopy","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320322892","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":74,"referenced_works":["https://openalex.org/W297304163","https://openalex.org/W387898965","https://openalex.org/W1601365389","https://openalex.org/W1973099933","https://openalex.org/W1974078694","https://openalex.org/W1974326231","https://openalex.org/W1980966394","https://openalex.org/W1982911894","https://openalex.org/W1984560968","https://openalex.org/W1985038637","https://openalex.org/W1986763367","https://openalex.org/W1987516359","https://openalex.org/W1991448735","https://openalex.org/W1993668066","https://openalex.org/W1997262497","https://openalex.org/W1998509760","https://openalex.org/W1998756722","https://openalex.org/W2003577463","https://openalex.org/W2003860874","https://openalex.org/W2008717019","https://openalex.org/W2009599146","https://openalex.org/W2011605770","https://openalex.org/W2013034835","https://openalex.org/W2013842245","https://openalex.org/W2015265932","https://openalex.org/W2020798889","https://openalex.org/W2024194542","https://openalex.org/W2024199731","https://openalex.org/W2025404479","https://openalex.org/W2033134911","https://openalex.org/W2035194469","https://openalex.org/W2037139193","https://openalex.org/W2037536574","https://openalex.org/W2038722303","https://openalex.org/W2041072522","https://openalex.org/W2042472554","https://openalex.org/W2042823075","https://openalex.org/W2043527527","https://openalex.org/W2047318325","https://openalex.org/W2048252687","https://openalex.org/W2050259698","https://openalex.org/W2051129479","https://openalex.org/W2052761484","https://openalex.org/W2052788985","https://openalex.org/W2055131176","https://openalex.org/W2055538214","https://openalex.org/W2059567015","https://openalex.org/W2060015442","https://openalex.org/W2061870398","https://openalex.org/W2062548542","https://openalex.org/W2063642952","https://openalex.org/W2066171809","https://openalex.org/W2073544240","https://openalex.org/W2075064349","https://openalex.org/W2075096435","https://openalex.org/W2076463610","https://openalex.org/W2081527666","https://openalex.org/W2083730521","https://openalex.org/W2084953611","https://openalex.org/W2086838546","https://openalex.org/W2093894920","https://openalex.org/W2095294219","https://openalex.org/W2162267582","https://openalex.org/W2319508100","https://openalex.org/W2320877012","https://openalex.org/W2323956274","https://openalex.org/W2328065567","https://openalex.org/W2622632518","https://openalex.org/W2624038149","https://openalex.org/W2760325863","https://openalex.org/W2885251539","https://openalex.org/W2915067788","https://openalex.org/W2950102517","https://openalex.org/W4254259148"],"related_works":["https://openalex.org/W387898965","https://openalex.org/W2018022765","https://openalex.org/W2013263235","https://openalex.org/W1963916693","https://openalex.org/W1973093455","https://openalex.org/W2085315386","https://openalex.org/W2011605770","https://openalex.org/W2027813206","https://openalex.org/W2037536574","https://openalex.org/W2741964603"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2013,"cited_by_count":1}],"updated_date":"2026-10-22T18:32:59.640997","created_date":"2016-06-24T00:00:00"}