{"id":"https://openalex.org/W2043930719","doi":"https://doi.org/10.1016/0009-2614(81)80187-x","title":"Exact solution (within a double-zeta basis set) of the schrodinger electronic equation for water","display_name":"Exact solution (within a double-zeta basis set) of the schrodinger electronic equation for water","publication_year":1981,"publication_date":"1981-04-01","ids":{"openalex":"https://openalex.org/W2043930719","doi":"https://doi.org/10.1016/0009-2614(81)80187-x","mag":"2043930719"},"language":"en","primary_location":{"id":"doi:10.1016/0009-2614(81)80187-x","doi":"https://doi.org/10.1016/0009-2614(81)80187-x","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0009-2614(81)80187-x","pdf_url":null,"source":{"id":"https://openalex.org/S44567922","display_name":"Chemical Physics Letters","issn_l":"0009-2614","issn":["0009-2614","1873-4448"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-2","vabb-shw"],"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":"Chemical Physics Letters","raw_type":"journal-article"},"parent_works":[],"lineage":["https://openalex.org/W2043930719"],"child_works_count":0,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://digital.library.unt.edu/ark:/67531/metadc836366/","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5056270590","display_name":"Paul Saxe","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I148283060","display_name":"Lawrence Berkeley National Laboratory","ror":"https://ror.org/02jbv0t02","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I148283060","https://openalex.org/I39565521"]},{"id":"https://openalex.org/I95457486","display_name":"University of California, Berkeley","ror":"https://ror.org/01an7q238","country_code":"US","type":"education","lineage":["https://openalex.org/I95457486"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Paul Saxe","raw_affiliation_strings":["Department of Chemistrv and Lawrence Berkeley Laboratory, University of California Berkeley, California 94720, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistrv and Lawrence Berkeley Laboratory, University of California Berkeley, California 94720, USA","institution_ids":["https://openalex.org/I148283060","https://openalex.org/I95457486"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5033633287","display_name":"Henry F. Schaefer","orcid":"https://orcid.org/0000-0003-0252-2083","observed_orcids":["https://orcid.org/0000-0003-0252-2083"]},"institutions":[{"id":"https://openalex.org/I148283060","display_name":"Lawrence Berkeley National Laboratory","ror":"https://ror.org/02jbv0t02","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I148283060","https://openalex.org/I39565521"]},{"id":"https://openalex.org/I95457486","display_name":"University of California, Berkeley","ror":"https://ror.org/01an7q238","country_code":"US","type":"education","lineage":["https://openalex.org/I95457486"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Henry F. Shaefer","raw_affiliation_strings":["Department of Chemistrv and Lawrence Berkeley Laboratory, University of California Berkeley, California 94720, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistrv and Lawrence Berkeley Laboratory, University of California Berkeley, California 94720, USA","institution_ids":["https://openalex.org/I148283060","https://openalex.org/I95457486"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5013268324","display_name":"Nicholas Charles Handy","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I241749","display_name":"University of Cambridge","ror":"https://ror.org/013meh722","country_code":"GB","type":"education","lineage":["https://openalex.org/I241749"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Nicholas C. Handy","raw_affiliation_strings":["University Chemical Laboratory, Cambridge, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University Chemical Laboratory, Cambridge, UK","institution_ids":["https://openalex.org/I241749"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":3270,"currency":"USD","value_usd":3270},"apc_paid":null,"fwci":9.4223,"has_fulltext":true,"cited_by_count":236,"citation_normalized_percentile":{"value":0.99113636,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":88,"max":97},"biblio":{"volume":"79","issue":"2","first_page":"202","last_page":"204"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9916999936103821,"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":0.9916999936103821,"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/T10523","display_name":"Atomic and Molecular Physics","score":0.004900000058114529,"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/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.0010000000474974513,"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/water-molecules","display_name":"water molecules","score":0.871999979019165},{"id":"https://openalex.org/keywords/schrodinger-equation","display_name":"Schr\u00f6dinger equation","score":0.8939999938011169},{"id":"https://openalex.org/keywords/double-zeta-basis-sets","display_name":"double-zeta basis sets","score":0.9340000152587891},{"id":"https://openalex.org/keywords/full-configuration-interaction","display_name":"full configuration interaction","score":0.984000027179718},{"id":"https://openalex.org/keywords/many-body-perturbation-theory","display_name":"many-body perturbation theory","score":0.8730000257492065},{"id":"https://openalex.org/keywords/electronic-ground-state","display_name":"electronic ground state","score":0.5450000166893005}],"concepts":[{"id":"https://openalex.org/C63036615","wikidata":"https://www.wikidata.org/wiki/Q165498","display_name":"Schr\u00f6dinger equation","level":2,"score":0.6825809478759766},{"id":"https://openalex.org/C12426560","wikidata":"https://www.wikidata.org/wiki/Q189569","display_name":"Basis (linear algebra)","level":2,"score":0.6691321730613708},{"id":"https://openalex.org/C65956243","wikidata":"https://www.wikidata.org/wiki/Q2664086","display_name":"Basis set","level":3,"score":0.602039635181427},{"id":"https://openalex.org/C174256460","wikidata":"https://www.wikidata.org/wiki/Q911364","display_name":"Perturbation theory (quantum mechanics)","level":2,"score":0.5600961446762085},{"id":"https://openalex.org/C520416788","wikidata":"https://www.wikidata.org/wiki/Q5419229","display_name":"Exact solutions in general relativity","level":2,"score":0.55741947889328},{"id":"https://openalex.org/C5917680","wikidata":"https://www.wikidata.org/wiki/Q2621825","display_name":"Basis function","level":2,"score":0.447296679019928},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.431373655796051},{"id":"https://openalex.org/C2778572836","wikidata":"https://www.wikidata.org/wiki/Q380933","display_name":"Space (punctuation)","level":2,"score":0.4305006265640259},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.42640042304992676},{"id":"https://openalex.org/C37914503","wikidata":"https://www.wikidata.org/wiki/Q156495","display_name":"Mathematical physics","level":1,"score":0.42093196511268616},{"id":"https://openalex.org/C74650414","wikidata":"https://www.wikidata.org/wiki/Q11397","display_name":"Classical mechanics","level":1,"score":0.36662763357162476},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.3594278395175934},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.35797181725502014},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.11568781733512878},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.11152082681655884},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.06959867477416992},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0}],"mesh":[],"locations_count":5,"locations":[{"id":"doi:10.1016/0009-2614(81)80187-x","doi":"https://doi.org/10.1016/0009-2614(81)80187-x","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0009-2614(81)80187-x","pdf_url":null,"source":{"id":"https://openalex.org/S44567922","display_name":"Chemical Physics Letters","issn_l":"0009-2614","issn":["0009-2614","1873-4448"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-2","vabb-shw"],"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":"Chemical Physics Letters","raw_type":"journal-article"},{"id":"pmh:info:ark/67531/metadc836366","doi":null,"is_oa":true,"landing_page_url":"https://digital.library.unt.edu/ark:/67531/metadc836366/","pdf_url":null,"source":{"id":"https://openalex.org/S4306400792","display_name":"University of North Texas Digital Library (University of North Texas)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I123534392","host_organization_name":"University of North Texas","host_organization_lineage":["https://openalex.org/I123534392"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Chemical Physics Letters","raw_type":"Article"},{"id":"pmh:oai:escholarship.org/ark:/13030/qt6kr9v7ng","doi":null,"is_oa":true,"landing_page_url":"https://escholarship.org/uc/item/6kr9v7ng","pdf_url":null,"source":{"id":"https://openalex.org/S4306400115","display_name":"eScholarship (California Digital Library)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I2801248553","host_organization_name":"California Digital Library","host_organization_lineage":["https://openalex.org/I2801248553"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"article"},{"id":"pmh:oai:osti.gov:1077850","doi":null,"is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1077850","pdf_url":null,"source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null},{"id":"pmh:qt6kr9v7ng","doi":null,"is_oa":true,"landing_page_url":"http://www.escholarship.org/uc/item/6kr9v7ng","pdf_url":null,"source":{"id":"https://openalex.org/S4306400115","display_name":"eScholarship (California Digital Library)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I2801248553","host_organization_name":"California Digital Library","host_organization_lineage":["https://openalex.org/I2801248553"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Saxe, Paul. (1980). EXACT SOLUTION (WITHIN A DOUBLE ZETA BASIS SET) OF SCHRODINGER'S ELECTRONIC EQUATION FOR WATER. Chemical Physics Letters. Lawrence Berkeley National Laboratory: Lawrence Berkeley National Laboratory. Retrieved from: http://www.escholarship.org/uc/item/6kr9v7ng","raw_type":"article"}],"best_oa_location":{"id":"pmh:info:ark/67531/metadc836366","doi":null,"is_oa":true,"landing_page_url":"https://digital.library.unt.edu/ark:/67531/metadc836366/","pdf_url":null,"source":{"id":"https://openalex.org/S4306400792","display_name":"University of North Texas Digital Library (University of North Texas)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I123534392","host_organization_name":"University of North Texas","host_organization_lineage":["https://openalex.org/I123534392"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Chemical Physics Letters","raw_type":"Article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G1702950523","display_name":null,"funder_award_id":"W-7405","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"},{"id":"https://openalex.org/G660437508","display_name":null,"funder_award_id":"W\u20107405\u2010ENG\u201048","funder_id":"https://openalex.org/F4320306084","funder_display_name":"U.S. Department of Energy"}],"funders":[{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2043930719.pdf","grobid_xml":"https://content.openalex.org/works/W2043930719.grobid-xml"},"referenced_works_count":12,"referenced_works":["https://openalex.org/W170967362","https://openalex.org/W1965975051","https://openalex.org/W1987268060","https://openalex.org/W2034697099","https://openalex.org/W2035984905","https://openalex.org/W2039861717","https://openalex.org/W2042472554","https://openalex.org/W2045203576","https://openalex.org/W2062340785","https://openalex.org/W2091828981","https://openalex.org/W2093904978","https://openalex.org/W4230151690"],"related_works":["https://openalex.org/W2078461663","https://openalex.org/W1997758487","https://openalex.org/W1995493043","https://openalex.org/W205602263","https://openalex.org/W1611186290","https://openalex.org/W4394668513","https://openalex.org/W3169303478","https://openalex.org/W1966796223","https://openalex.org/W2012901059"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":4},{"year":2013,"cited_by_count":2}],"updated_date":"2026-11-14T11:04:58.165337","created_date":"2016-06-24T00:00:00"}
