{"id":"https://openalex.org/W2075299347","doi":"https://doi.org/10.1525/hsns.2009.39.1.32","title":"Between Accuracy and Manageability: Computational Imperatives in Quantum Chemistry","display_name":"Between Accuracy and Manageability: Computational Imperatives in Quantum Chemistry","publication_year":2009,"publication_date":"2009-01-01","ids":{"openalex":"https://openalex.org/W2075299347","doi":"https://doi.org/10.1525/hsns.2009.39.1.32","mag":"2075299347"},"language":"en","primary_location":{"id":"doi:10.1525/hsns.2009.39.1.32","doi":"https://doi.org/10.1525/hsns.2009.39.1.32","is_oa":false,"landing_page_url":"https://doi.org/10.1525/hsns.2009.39.1.32","pdf_url":null,"source":{"id":"https://openalex.org/S96327655","display_name":"Historical Studies in the Natural Sciences","issn_l":"1939-1811","issn":["1939-1811","1939-182X"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":["anvur-class-a","anvur-scientific","erih-plus","jufo-2","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310315693","host_organization_name":"University of California Press","host_organization_lineage":["https://openalex.org/P4310315693"],"host_organization_lineage_names":["University of California Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Historical Studies in the Natural Sciences","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/A5062924748","display_name":"Buhm Soon Park","orcid":"https://orcid.org/0000-0001-8263-5744","observed_orcids":["https://orcid.org/0000-0001-8263-5744"]},"institutions":[{"id":"https://openalex.org/I157485424","display_name":"Korea Advanced Institute of Science and Technology","ror":"https://ror.org/05apxxy63","country_code":"KR","type":"education","lineage":["https://openalex.org/I157485424"]}],"countries":["KR"],"is_corresponding":true,"raw_author_name":"Buhm Soon Park","raw_affiliation_strings":["School of Humanities and Social Sciences, Korea Advanced Institute of Science and Technology (KAIST), 335 Gwahangno, Yuseong-gu, Daejeon, Korea; parkb@kaist.edu"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Humanities and Social Sciences, Korea Advanced Institute of Science and Technology (KAIST), 335 Gwahangno, Yuseong-gu, Daejeon, Korea; parkb@kaist.edu","institution_ids":["https://openalex.org/I157485424"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5062924748"],"corresponding_institution_ids":["https://openalex.org/I157485424"],"apc_list":null,"apc_paid":null,"fwci":4.2887,"has_fulltext":false,"cited_by_count":22,"citation_normalized_percentile":{"value":0.94320755,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"39","issue":"1","first_page":"32","last_page":"62"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T14475","display_name":"History of Science and Medicine","score":0.41260001063346863,"subfield":{"id":"https://openalex.org/subfields/1207","display_name":"History and Philosophy of Science"},"field":{"id":"https://openalex.org/fields/12","display_name":"Arts and Humanities"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}},"topics":[{"id":"https://openalex.org/T14475","display_name":"History of Science and Medicine","score":0.41260001063346863,"subfield":{"id":"https://openalex.org/subfields/1207","display_name":"History and Philosophy of Science"},"field":{"id":"https://openalex.org/fields/12","display_name":"Arts and Humanities"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}},{"id":"https://openalex.org/T10778","display_name":"Philosophy and History of Science","score":0.26440000534057617,"subfield":{"id":"https://openalex.org/subfields/1207","display_name":"History and Philosophy of Science"},"field":{"id":"https://openalex.org/fields/12","display_name":"Arts and Humanities"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}},{"id":"https://openalex.org/T13297","display_name":"History and advancements in chemistry","score":0.06459999829530716,"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/quantum-chemistry","display_name":"quantum chemistry","score":0.7139999866485596},{"id":"https://openalex.org/keywords/ab-initio-methods","display_name":"ab initio methods","score":0.800000011920929},{"id":"https://openalex.org/keywords/schrodinger-equation","display_name":"Schr\u00f6dinger equation","score":0.9350000023841858},{"id":"https://openalex.org/keywords/history-of-quantum-theory","display_name":"history of quantum theory","score":0.8289999961853027},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"computational chemistry","score":0.527999997138977},{"id":"https://openalex.org/keywords/early-computers","display_name":"early computers","score":0.6010000109672546},{"id":"https://openalex.org/keywords/approximation-methods","display_name":"approximation methods","score":0.6740000247955322},{"id":"https://openalex.org/keywords/many-body-systems","display_name":"many-body systems","score":0.6660000085830688},{"id":"https://openalex.org/keywords/atomic-and-molecular-systems","display_name":"atomic and molecular systems","score":0.6359999775886536}],"concepts":[{"id":"https://openalex.org/C2778154381","wikidata":"https://www.wikidata.org/wiki/Q105296908","display_name":"Ingenuity","level":2,"score":0.9611371755599976},{"id":"https://openalex.org/C45374587","wikidata":"https://www.wikidata.org/wiki/Q12525525","display_name":"Computation","level":2,"score":0.6581083536148071},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5648848414421082},{"id":"https://openalex.org/C58053490","wikidata":"https://www.wikidata.org/wiki/Q176555","display_name":"Quantum computer","level":3,"score":0.5506812334060669},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.4930865466594696},{"id":"https://openalex.org/C84114770","wikidata":"https://www.wikidata.org/wiki/Q46344","display_name":"Quantum","level":2,"score":0.4926818013191223},{"id":"https://openalex.org/C22994065","wikidata":"https://www.wikidata.org/wiki/Q188403","display_name":"Quantum chemistry","level":4,"score":0.44648104906082153},{"id":"https://openalex.org/C539667460","wikidata":"https://www.wikidata.org/wiki/Q2414942","display_name":"Management science","level":1,"score":0.3270597457885742},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.22417816519737244},{"id":"https://openalex.org/C111472728","wikidata":"https://www.wikidata.org/wiki/Q9471","display_name":"Epistemology","level":1,"score":0.22300255298614502},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.21370166540145874},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.1700131595134735},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.12584233283996582},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.11212366819381714},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.1011168360710144},{"id":"https://openalex.org/C93275456","wikidata":"https://www.wikidata.org/wiki/Q756449","display_name":"Supramolecular chemistry","level":3,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1525/hsns.2009.39.1.32","doi":"https://doi.org/10.1525/hsns.2009.39.1.32","is_oa":false,"landing_page_url":"https://doi.org/10.1525/hsns.2009.39.1.32","pdf_url":null,"source":{"id":"https://openalex.org/S96327655","display_name":"Historical Studies in the Natural Sciences","issn_l":"1939-1811","issn":["1939-1811","1939-182X"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":["anvur-class-a","anvur-scientific","erih-plus","jufo-2","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310315693","host_organization_name":"University of California Press","host_organization_lineage":["https://openalex.org/P4310315693"],"host_organization_lineage_names":["University of California Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Historical Studies in the Natural Sciences","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2274712183","https://openalex.org/W4245013460","https://openalex.org/W4411204451","https://openalex.org/W3009610979","https://openalex.org/W2466017734","https://openalex.org/W7148805120","https://openalex.org/W6920843329","https://openalex.org/W2502882855","https://openalex.org/W4252956860","https://openalex.org/W606199"],"abstract_inverted_index":{"This":[0],"article":[1],"explores":[2],"the":[3,8,15,23,36,51,56,70,98],"place":[4],"of":[5,10,17,58,101,108],"computation":[6],"in":[7,35,61,97],"history":[9],"quantum":[11,59,102],"theory":[12,81,109],"by":[13],"examining":[14],"development":[16],"several":[18],"approximation":[19],"methods":[20],"to":[21,40],"solve":[22],"Schr\u00f6dinger":[24],"equation":[25],"without":[26],"using":[27],"empirical":[28],"information,":[29],"as":[30,46,77],"these":[31],"were":[32,90],"worked":[33],"out":[34,69],"years":[37,100],"from":[38],"1927":[39],"1933.":[41],"These":[42],"ab":[43],"initio":[44],"methods,":[45],"they":[47],"became":[48,72],"known,":[49],"produced":[50],"results":[52],"that":[53,94,110],"helped":[54],"validate":[55],"use":[57],"mechanics":[60],"many-body":[62],"atomic":[63],"and":[64,75,82,86,117],"molecular":[65],"systems,":[66],"but":[67],"carrying":[68],"computations":[71],"increasingly":[73],"laborious":[74],"difficult":[76],"better":[78],"agreement":[79],"between":[80],"experiment":[83],"was":[84],"pursued":[85],"more":[87],"complex":[88],"systems":[89],"tackled.":[91],"I":[92],"argue":[93],"computational":[95],"work":[96],"early":[99],"chemistry":[103],"shows":[104],"an":[105],"emerging":[106],"practice":[107],"required":[111],"human":[112],"labor,":[113],"technological":[114],"improvement":[115],"(computers),":[116],"mathematical":[118],"ingenuity.":[119]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":4},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-10-12T09:40:04.860316","created_date":"2016-06-24T00:00:00"}
