{"id":"https://openalex.org/W4409425697","doi":"https://doi.org/10.1021/acs.jctc.5c00159","title":"Excited-State Absorption: Reference Oscillator Strengths, Wave Function, and TDDFT Benchmarks","display_name":"Excited-State Absorption: Reference Oscillator Strengths, Wave Function, and TDDFT Benchmarks","publication_year":2025,"publication_date":"2025-04-14","ids":{"openalex":"https://openalex.org/W4409425697","doi":"https://doi.org/10.1021/acs.jctc.5c00159","pmid":"https://pubmed.ncbi.nlm.nih.gov/40228100"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jctc.5c00159","doi":"https://doi.org/10.1021/acs.jctc.5c00159","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jctc.5c00159","pdf_url":null,"source":{"id":"https://openalex.org/S189701308","display_name":"Journal of Chemical Theory and Computation","issn_l":"1549-9618","issn":["1549-9618","1549-9626"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Theory and Computation","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["arxiv","crossref","datacite","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://arxiv.org/pdf/2501.17114","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5116078393","display_name":"Jakub \u0160ir\u016f\u010dek","orcid":"https://orcid.org/0009-0004-9419-0411","observed_orcids":["https://orcid.org/0009-0004-9419-0411"]},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I4210090783","display_name":"Institut des Sciences Chimiques de Rennes","ror":"https://ror.org/00adwkx90","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I28221208","https://openalex.org/I4210090783","https://openalex.org/I4210115835","https://openalex.org/I4210128300","https://openalex.org/I56067802"]},{"id":"https://openalex.org/I4210138474","display_name":"Chimie et Interdisciplinarit\u00e9, Synth\u00e8se, Analyse, Mod\u00e9lisation","ror":"https://ror.org/04ysg2a58","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I4210128300","https://openalex.org/I4210138474","https://openalex.org/I97188460"]},{"id":"https://openalex.org/I56067802","display_name":"Universit\u00e9 de Rennes","ror":"https://ror.org/015m7wh34","country_code":"FR","type":"education","lineage":["https://openalex.org/I56067802"]},{"id":"https://openalex.org/I97188460","display_name":"Nantes Universit\u00e9","ror":"https://ror.org/03gnr7b55","country_code":"FR","type":"education","lineage":["https://openalex.org/I97188460"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Jakub \u0160ir\u016f\u010dek","raw_affiliation_strings":["CNRS, CEISAM UMR 6230, Nantes Universit\u00e9","CNRS, ISCR UMR 6226, Univ Rennes"],"raw_orcid":"https://orcid.org/0009-0004-9419-0411","affiliations":[{"raw_affiliation_string":"CNRS, CEISAM UMR 6230, Nantes Universit\u00e9","institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I4210138474","https://openalex.org/I97188460"]},{"raw_affiliation_string":"CNRS, ISCR UMR 6226, Univ Rennes","institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I4210090783","https://openalex.org/I56067802"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074615449","display_name":"Boris Le Guennic","orcid":"https://orcid.org/0000-0003-3013-0546","observed_orcids":["https://orcid.org/0000-0003-3013-0546"]},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I4210090783","display_name":"Institut des Sciences Chimiques de Rennes","ror":"https://ror.org/00adwkx90","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I28221208","https://openalex.org/I4210090783","https://openalex.org/I4210115835","https://openalex.org/I4210128300","https://openalex.org/I56067802"]},{"id":"https://openalex.org/I56067802","display_name":"Universit\u00e9 de Rennes","ror":"https://ror.org/015m7wh34","country_code":"FR","type":"education","lineage":["https://openalex.org/I56067802"]}],"countries":["FR"],"is_corresponding":true,"raw_author_name":"Boris Le Guennic","raw_affiliation_strings":["CNRS, ISCR UMR 6226, Univ Rennes"],"raw_orcid":"https://orcid.org/0000-0003-3013-0546","affiliations":[{"raw_affiliation_string":"CNRS, ISCR UMR 6226, Univ Rennes","institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I4210090783","https://openalex.org/I56067802"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5082968952","display_name":"Yann Damour","orcid":"https://orcid.org/0000-0002-8868-9863","observed_orcids":["https://orcid.org/0000-0002-8868-9863"]},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I134560555","display_name":"Universit\u00e9 Toulouse III - Paul Sabatier","ror":"https://ror.org/02v6kpv12","country_code":"FR","type":"education","lineage":["https://openalex.org/I134560555","https://openalex.org/I4405258862"]},{"id":"https://openalex.org/I4210144120","display_name":"Laboratoire de Chimie et Physique Quantiques","ror":"https://ror.org/056g7f250","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I4210128300","https://openalex.org/I4210144120","https://openalex.org/I4405258862"]},{"id":"https://openalex.org/I4405258862","display_name":"Universit\u00e9 de Toulouse","ror":"https://ror.org/01ahyrz84","country_code":"FR","type":"education","lineage":["https://openalex.org/I4405258862"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Yann Damour","raw_affiliation_strings":["CNRS, UPS, Laboratoire de Chimie et Physique Quantiques UMR 5626, Universit\u00e9 de Toulouse"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"CNRS, UPS, Laboratoire de Chimie et Physique Quantiques UMR 5626, Universit\u00e9 de Toulouse","institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I134560555","https://openalex.org/I4210144120","https://openalex.org/I4405258862"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5039205389","display_name":"Pierre\u2010Fran\u00e7ois Loos","orcid":"https://orcid.org/0000-0003-0598-7425","observed_orcids":["https://orcid.org/0000-0003-0598-7425"]},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I134560555","display_name":"Universit\u00e9 Toulouse III - Paul Sabatier","ror":"https://ror.org/02v6kpv12","country_code":"FR","type":"education","lineage":["https://openalex.org/I134560555","https://openalex.org/I4405258862"]},{"id":"https://openalex.org/I4210144120","display_name":"Laboratoire de Chimie et Physique Quantiques","ror":"https://ror.org/056g7f250","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I4210128300","https://openalex.org/I4210144120","https://openalex.org/I4405258862"]},{"id":"https://openalex.org/I4405258862","display_name":"Universit\u00e9 de Toulouse","ror":"https://ror.org/01ahyrz84","country_code":"FR","type":"education","lineage":["https://openalex.org/I4405258862"]}],"countries":["FR"],"is_corresponding":true,"raw_author_name":"Pierre-Fran\u00e7ois Loos","raw_affiliation_strings":["CNRS, UPS, Laboratoire de Chimie et Physique Quantiques UMR 5626, Universit\u00e9 de Toulouse"],"raw_orcid":"https://orcid.org/0000-0003-0598-7425","affiliations":[{"raw_affiliation_string":"CNRS, UPS, Laboratoire de Chimie et Physique Quantiques UMR 5626, Universit\u00e9 de Toulouse","institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I134560555","https://openalex.org/I4210144120","https://openalex.org/I4405258862"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5020352602","display_name":"Denis Jacquemin","orcid":"https://orcid.org/0000-0002-4217-0708","observed_orcids":["https://orcid.org/0000-0002-4217-0708"]},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I185839726","display_name":"Institut Universitaire de France","ror":"https://ror.org/055khg266","country_code":"FR","type":"education","lineage":["https://openalex.org/I185839726"]},{"id":"https://openalex.org/I4210138474","display_name":"Chimie et Interdisciplinarit\u00e9, Synth\u00e8se, Analyse, Mod\u00e9lisation","ror":"https://ror.org/04ysg2a58","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I4210128300","https://openalex.org/I4210138474","https://openalex.org/I97188460"]},{"id":"https://openalex.org/I97188460","display_name":"Nantes Universit\u00e9","ror":"https://ror.org/03gnr7b55","country_code":"FR","type":"education","lineage":["https://openalex.org/I97188460"]}],"countries":["FR"],"is_corresponding":true,"raw_author_name":"Denis Jacquemin","raw_affiliation_strings":["CNRS, CEISAM UMR 6230, Nantes Universit\u00e9","Institut Universitaire de France (IUF)"],"raw_orcid":"https://orcid.org/0000-0002-4217-0708","affiliations":[{"raw_affiliation_string":"CNRS, CEISAM UMR 6230, Nantes Universit\u00e9","institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I4210138474","https://openalex.org/I97188460"]},{"raw_affiliation_string":"Institut Universitaire de France (IUF)","institution_ids":["https://openalex.org/I185839726"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":9,"corresponding_author_ids":["https://openalex.org/A5020352602","https://openalex.org/A5039205389","https://openalex.org/A5074615449"],"corresponding_institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I134560555","https://openalex.org/I185839726","https://openalex.org/I4210090783","https://openalex.org/I4210138474","https://openalex.org/I4210144120","https://openalex.org/I4405258862","https://openalex.org/I56067802","https://openalex.org/I97188460"],"apc_list":{"value":4500,"currency":"USD","value_usd":4500},"apc_paid":null,"fwci":7.3776,"has_fulltext":true,"cited_by_count":20,"citation_normalized_percentile":{"value":0.98395373,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":99,"max":100},"biblio":{"volume":"21","issue":"9","first_page":"4688","last_page":"4703"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9800000190734863,"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":0.9800000190734863,"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":0.00860000029206276,"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/T11129","display_name":"Photochemistry and Electron Transfer Studies","score":0.00559999980032444,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical 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/excited-state-absorption","display_name":"excited-state absorption","score":0.9990000128746033},{"id":"https://openalex.org/keywords/oscillator-strengths","display_name":"oscillator strengths","score":0.9929999709129333},{"id":"https://openalex.org/keywords/vertical-transition-energies","display_name":"vertical transition energies","score":0.6100000143051147},{"id":"https://openalex.org/keywords/tamm-dancoff-approximation","display_name":"Tamm-Dancoff approximation","score":0.9089999794960022},{"id":"https://openalex.org/keywords/cam-b3lyp","display_name":"CAM-B3LYP","score":0.9169999957084656},{"id":"https://openalex.org/keywords/franck-condon-region","display_name":"Franck-Condon region","score":0.8550000190734863},{"id":"https://openalex.org/keywords/basis-set-comparison","display_name":"basis set comparison","score":0.3529999852180481},{"id":"https://openalex.org/keywords/excited-state-wave-functions","display_name":"excited-state wave functions","score":0.6470000147819519}],"concepts":[{"id":"https://openalex.org/C20853536","wikidata":"https://www.wikidata.org/wiki/Q4120992","display_name":"Time-dependent density functional theory","level":3,"score":0.7701748609542847},{"id":"https://openalex.org/C181500209","wikidata":"https://www.wikidata.org/wiki/Q215328","display_name":"Excited state","level":2,"score":0.576149582862854},{"id":"https://openalex.org/C14036430","wikidata":"https://www.wikidata.org/wiki/Q3736076","display_name":"Function (biology)","level":2,"score":0.5398390293121338},{"id":"https://openalex.org/C125287762","wikidata":"https://www.wikidata.org/wiki/Q1758948","display_name":"Absorption (acoustics)","level":2,"score":0.49015340209007263},{"id":"https://openalex.org/C2993396156","wikidata":"https://www.wikidata.org/wiki/Q215328","display_name":"Excited electronic state","level":3,"score":0.4825857877731323},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.39886415004730225},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.38906633853912354},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.3442802429199219},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.17936035990715027},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C78458016","wikidata":"https://www.wikidata.org/wiki/Q840400","display_name":"Evolutionary biology","level":1,"score":0.0}],"mesh":[],"locations_count":5,"locations":[{"id":"doi:10.1021/acs.jctc.5c00159","doi":"https://doi.org/10.1021/acs.jctc.5c00159","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jctc.5c00159","pdf_url":null,"source":{"id":"https://openalex.org/S189701308","display_name":"Journal of Chemical Theory and Computation","issn_l":"1549-9618","issn":["1549-9618","1549-9626"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-2","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Theory and Computation","raw_type":"journal-article"},{"id":"pmid:40228100","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/40228100","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical theory and computation","raw_type":"Journal Article"},{"id":"pmh:oai:arXiv.org:2501.17114","doi":null,"is_oa":true,"landing_page_url":"http://arxiv.org/abs/2501.17114","pdf_url":"https://arxiv.org/pdf/2501.17114","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},{"id":"pmh:oai:HAL:hal-04918191v1","doi":null,"is_oa":false,"landing_page_url":"https://hal.science/hal-04918191v1/document","pdf_url":null,"source":{"id":"https://openalex.org/S4306402512","display_name":"HAL (Le Centre pour la Communication Scientifique Directe)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1294671590","host_organization_name":"Centre National de la Recherche Scientifique","host_organization_lineage":["https://openalex.org/I1294671590"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Chemical Theory and Computation, 2025, 21 (9), pp.4688-4703. ⟨10.1021/acs.jctc.5c00159⟩","raw_type":"info:eu-repo/semantics/article"},{"id":"doi:10.48550/arxiv.2501.17114","doi":"https://doi.org/10.48550/arxiv.2501.17114","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2501.17114","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":null,"raw_source_name":null,"raw_type":"Preprint"}],"best_oa_location":{"id":"pmh:oai:arXiv.org:2501.17114","doi":null,"is_oa":true,"landing_page_url":"http://arxiv.org/abs/2501.17114","pdf_url":"https://arxiv.org/pdf/2501.17114","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},"sustainable_development_goals":[],"sustainable_development_goals_aurora":[{"display_name":"Affordable and clean energy","score":0.550000011920929,"id":"https://metadata.un.org/sdg/7"}],"study_designs":[],"awards":[{"id":"https://openalex.org/G1217991036","display_name":"Molecular Materials for Organic Electronics/Photonics","funder_award_id":"ANR-18-EURE-0012","funder_id":"https://openalex.org/F4320320883","funder_display_name":"Agence Nationale de la Recherche"},{"id":"https://openalex.org/G2722659885","display_name":"PT-symmetric electronic structure theory","funder_award_id":"863481","funder_id":"https://openalex.org/F4320338335","funder_display_name":"H2020 European Research Council"},{"id":"https://openalex.org/G2860119811","display_name":null,"funder_award_id":"863481","funder_id":"https://openalex.org/F4320320300","funder_display_name":"European Commission"},{"id":"https://openalex.org/G434337789","display_name":null,"funder_award_id":"HORIZON2020","funder_id":"https://openalex.org/F4320320300","funder_display_name":"European Commission"},{"id":"https://openalex.org/G4656594441","display_name":null,"funder_award_id":"ANR18","funder_id":"https://openalex.org/F4320320883","funder_display_name":"Agence Nationale de la Recherche"}],"funders":[{"id":"https://openalex.org/F4320320300","display_name":"European Commission","ror":"https://ror.org/00k4n6c32"},{"id":"https://openalex.org/F4320320883","display_name":"Agence Nationale de la Recherche","ror":"https://ror.org/00rbzpz17"},{"id":"https://openalex.org/F4320338335","display_name":"H2020 European Research Council","ror":"https://ror.org/0472cxd90"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4409425697.pdf","grobid_xml":"https://content.openalex.org/works/W4409425697.grobid-xml"},"referenced_works_count":78,"referenced_works":["https://openalex.org/W1508697289","https://openalex.org/W1969831726","https://openalex.org/W1976413521","https://openalex.org/W1982356449","https://openalex.org/W1982884984","https://openalex.org/W1989401157","https://openalex.org/W1990345925","https://openalex.org/W1990669973","https://openalex.org/W1994136125","https://openalex.org/W1995070318","https://openalex.org/W1995497075","https://openalex.org/W1996943850","https://openalex.org/W1997354677","https://openalex.org/W2001452808","https://openalex.org/W2003592326","https://openalex.org/W2006788276","https://openalex.org/W2009057700","https://openalex.org/W2012458244","https://openalex.org/W2015512462","https://openalex.org/W2021214590","https://openalex.org/W2023271753","https://openalex.org/W2027777762","https://openalex.org/W2028438060","https://openalex.org/W2030083227","https://openalex.org/W2035942888","https://openalex.org/W2036860653","https://openalex.org/W2038533471","https://openalex.org/W2038641437","https://openalex.org/W2039307334","https://openalex.org/W2040014804","https://openalex.org/W2050341780","https://openalex.org/W2059807451","https://openalex.org/W2062852634","https://openalex.org/W2066481445","https://openalex.org/W2068843692","https://openalex.org/W2069197437","https://openalex.org/W2070143088","https://openalex.org/W2070928143","https://openalex.org/W2071387974","https://openalex.org/W2077188122","https://openalex.org/W2078864082","https://openalex.org/W2079449308","https://openalex.org/W2081232414","https://openalex.org/W2083441840","https://openalex.org/W2085622890","https://openalex.org/W2090211307","https://openalex.org/W2100077118","https://openalex.org/W2127615426","https://openalex.org/W2143981217","https://openalex.org/W2148284063","https://openalex.org/W2255964241","https://openalex.org/W2309774991","https://openalex.org/W2465465795","https://openalex.org/W2624020042","https://openalex.org/W2757596557","https://openalex.org/W2775220959","https://openalex.org/W2810217004","https://openalex.org/W2898980732","https://openalex.org/W2915920394","https://openalex.org/W2921431615","https://openalex.org/W2960258782","https://openalex.org/W2981554790","https://openalex.org/W3004838788","https://openalex.org/W3036591805","https://openalex.org/W3038492777","https://openalex.org/W3087162077","https://openalex.org/W3103754041","https://openalex.org/W3109689970","https://openalex.org/W3110161356","https://openalex.org/W3193988690","https://openalex.org/W3205623406","https://openalex.org/W4210452932","https://openalex.org/W4221160924","https://openalex.org/W4281907529","https://openalex.org/W4295512296","https://openalex.org/W4311643438","https://openalex.org/W4400599154","https://openalex.org/W4403178931"],"related_works":["https://openalex.org/W3144269038","https://openalex.org/W2047569397","https://openalex.org/W2004269056","https://openalex.org/W2092663328","https://openalex.org/W2082843312","https://openalex.org/W2027462897","https://openalex.org/W2063560220","https://openalex.org/W1989920026","https://openalex.org/W2051156667","https://openalex.org/W2777029254"],"abstract_inverted_index":{"Excited-state":[0],"absorption":[1],"(ESA)":[2],"corresponds":[3],"to":[4,31,135],"the":[5,52,68,78,92,107,137,145,195,203,223,236,242,248,257],"transition":[6,55],"between":[7,57],"two":[8],"electronic":[9],"excited":[10,59],"states":[11,60],"and":[12,19,51,64,142,153,160,175,201],"is":[13,27,113],"a":[14,40,72,149],"fundamental":[15],"process":[16],"for":[17,184,194,240],"probing":[18],"understanding":[20],"light-matter":[21],"interactions.":[22],"Accurate":[23],"modeling":[24],"of":[25,42,61,80,139,151,198,226,250],"ESA":[26,44,185],"indeed":[28],"often":[29],"required":[30],"interpret":[32],"time-resolved":[33],"experiments.":[34],"In":[35,71],"this":[36,216],"contribution,":[37],"we":[38,75],"present":[39],"dataset":[41],"53":[43],"oscillator":[45,186],"strengths":[46,187],"in":[47,127,202,215,235],"three":[48],"different":[49,100,251],"gauges":[50],"associated":[53],"vertical":[54],"energies":[56],"71":[58],"21":[62],"small-":[63],"medium-sized":[65],"molecules":[66,197],"from":[67],"QUEST":[69],"database.":[70],"few":[73],"cases,":[74],"additionally":[76],"investigated":[77],"effect":[79],"geometry":[81],"relaxation":[82],"on":[83,256],"excited-state":[84,220],"geometries.":[85],"The":[86],"reference":[87],"values":[88],"were":[89],"obtained":[90],"within":[91],"quadratic":[93],"response":[94],"(QR)":[95],"CC3":[96],"formalism":[97],"using":[98,148,219],"eight":[99],"Dunning":[101],"basis":[102,111],"sets.":[103],"We":[104,177,207],"found":[105],"that":[106,179,210],"d-":[108,122],"aug":[109,123],"-cc-pVTZ":[110],"set":[112],"always":[114],"adequate":[115],"while":[116],"its":[117],"more":[118,245],"compact":[119],"double-\u03b6":[120],"counterpart,":[121],"-cc-pVDZ,":[124],"performs":[125],"well":[126,163],"most":[128],"cases.":[129],"These":[130],"QR-CC3":[131],"data":[132],"allow":[133],"us":[134],"assess":[136],"performance":[138,214,225,249],"QR-TDDFT,":[140],"with":[141,188,232],"without":[143],"applying":[144],"Tamm-Dancoff":[146],"approximation,":[147],"panel":[150],"global":[152],"range-separated":[154],"hybrids":[155],"(B3LYP,":[156],"BH&HLYP,":[157],"CAM-B3LYP,":[158],"LC-BLYP33,":[159],"LC-BLYP47),":[161],"as":[162,164,247],"several":[165],"lower-order":[166],"wave":[167,227],"function":[168],"methods,":[169],"i.e.,":[170],"QR-CCSD,":[171],"QR-CC2,":[172],"EOM-CCSD,":[173],"ISR-ADC(2),":[174],"ISR-ADC(3).":[176],"show":[178],"QR-TDDFT":[180],"delivers":[181],"acceptable":[182],"errors":[183],"CAM-B3LYP":[189],"showing":[190],"particular":[191],"promise,":[192],"especially":[193],"largest":[196],"our":[199],"set,":[200],"Franck\u2013Condon":[204,237],"(FC)":[205],"region.":[206,217,238],"also":[208],"find":[209],"ISR-ADC(3)":[211],"exhibits":[212],"excellent":[213],"When":[218],"optimal":[221],"geometries,":[222],"relative":[224],"function-based":[228],"approaches":[229],"remains":[230],"consistent":[231],"trends":[233],"observed":[234],"However,":[239],"TD(A)-DFT,":[241],"accuracy":[243],"varies":[244],"significantly,":[246],"exchange-correlation":[252],"functionals":[253],"significantly":[254],"depends":[255],"chosen":[258],"geometry.":[259]},"counts_by_year":[{"year":2026,"cited_by_count":12},{"year":2025,"cited_by_count":8}],"updated_date":"2026-10-17T09:40:24.721904","created_date":"2025-10-10T00:00:00"}