{"id":"https://openalex.org/W1991032965","doi":"https://doi.org/10.1002/(sici)1096-987x(199808)19:11<1300::aid-jcc10>3.0.co;2-p","title":"Automated selection of optimal Gaussian fits to arbitrary functions in electronic structure theory","display_name":"Automated selection of optimal Gaussian fits to arbitrary functions in electronic structure theory","publication_year":1998,"publication_date":"1998-08-01","ids":{"openalex":"https://openalex.org/W1991032965","doi":"https://doi.org/10.1002/(sici)1096-987x(199808)19:11<1300::aid-jcc10>3.0.co;2-p","mag":"1991032965"},"language":"en","primary_location":{"id":"doi:10.1002/(sici)1096-987x(199808)19:11<1300::aid-jcc10>3.0.co;2-p","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(199808)19:11<1300::aid-jcc10>3.0.co;2-p","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},"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/A5072256855","display_name":"Claudine C. Tazartes","orcid":null},"institutions":[{"id":"https://openalex.org/I161318765","display_name":"University of California, Los Angeles","ror":"https://ror.org/046rm7j60","country_code":"US","type":"education","lineage":["https://openalex.org/I161318765"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Claudine C. Tazartes","raw_affiliation_strings":["Department of Mathematics, University of California, Los Angeles, California 90095-1555","Department of Mathematics University of California Los Angeles, California 90095-1555"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Mathematics, University of California, Los Angeles, California 90095-1555","institution_ids":["https://openalex.org/I161318765"]},{"raw_affiliation_string":"Department of Mathematics University of California Los Angeles, California 90095-1555","institution_ids":["https://openalex.org/I161318765"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103181690","display_name":"Christopher R. Anderson","orcid":"https://orcid.org/0000-0002-9248-545X"},"institutions":[{"id":"https://openalex.org/I161318765","display_name":"University of California, Los Angeles","ror":"https://ror.org/046rm7j60","country_code":"US","type":"education","lineage":["https://openalex.org/I161318765"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Christopher R. Anderson","raw_affiliation_strings":["Department of Mathematics, University of California, Los Angeles, California 90095-1555","Department of Mathematics University of California Los Angeles, California 90095-1555"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Mathematics, University of California, Los Angeles, California 90095-1555","institution_ids":["https://openalex.org/I161318765"]},{"raw_affiliation_string":"Department of Mathematics University of California Los Angeles, California 90095-1555","institution_ids":["https://openalex.org/I161318765"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5090200106","display_name":"Emily A. Carter","orcid":"https://orcid.org/0000-0001-7330-7554"},"institutions":[{"id":"https://openalex.org/I161318765","display_name":"University of California, Los Angeles","ror":"https://ror.org/046rm7j60","country_code":"US","type":"education","lineage":["https://openalex.org/I161318765"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Emily A. Carter","raw_affiliation_strings":["Department of Chemistry and Biochemistry, University of California, Los Angeles, California, 90095-1569","Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095\u20131569"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Biochemistry, University of California, Los Angeles, California, 90095-1569","institution_ids":["https://openalex.org/I161318765"]},{"raw_affiliation_string":"Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095\u20131569","institution_ids":["https://openalex.org/I161318765"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5090200106"],"corresponding_institution_ids":["https://openalex.org/I161318765"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":0.461,"has_fulltext":false,"cited_by_count":8,"citation_normalized_percentile":{"value":0.53956835,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"19","issue":"11","first_page":"1300","last_page":"1314"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9966999888420105,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9966999888420105,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9965000152587891,"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/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.9959999918937683,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"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/gaussian","display_name":"Gaussian","score":0.6898449659347534},{"id":"https://openalex.org/keywords/selection","display_name":"Selection (genetic algorithm)","score":0.6711995005607605},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.5682251453399658},{"id":"https://openalex.org/keywords/exponential-function","display_name":"Exponential function","score":0.5531653761863708},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.5172701478004456},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.48539671301841736},{"id":"https://openalex.org/keywords/applied-mathematics","display_name":"Applied mathematics","score":0.4394015371799469},{"id":"https://openalex.org/keywords/pseudospectral-optimal-control","display_name":"Pseudospectral optimal control","score":0.4210563600063324},{"id":"https://openalex.org/keywords/correlation","display_name":"Correlation","score":0.42028820514678955},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.4034038782119751},{"id":"https://openalex.org/keywords/pseudo-spectral-method","display_name":"Pseudo-spectral method","score":0.3560519218444824},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.23985150456428528},{"id":"https://openalex.org/keywords/mathematical-analysis","display_name":"Mathematical analysis","score":0.1807483434677124},{"id":"https://openalex.org/keywords/fourier-transform","display_name":"Fourier transform","score":0.15168669819831848},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.13057854771614075},{"id":"https://openalex.org/keywords/geometry","display_name":"Geometry","score":0.09246483445167542},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.08226841688156128}],"concepts":[{"id":"https://openalex.org/C163716315","wikidata":"https://www.wikidata.org/wiki/Q901177","display_name":"Gaussian","level":2,"score":0.6898449659347534},{"id":"https://openalex.org/C81917197","wikidata":"https://www.wikidata.org/wiki/Q628760","display_name":"Selection (genetic algorithm)","level":2,"score":0.6711995005607605},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.5682251453399658},{"id":"https://openalex.org/C151376022","wikidata":"https://www.wikidata.org/wiki/Q168698","display_name":"Exponential function","level":2,"score":0.5531653761863708},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.5172701478004456},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.48539671301841736},{"id":"https://openalex.org/C28826006","wikidata":"https://www.wikidata.org/wiki/Q33521","display_name":"Applied mathematics","level":1,"score":0.4394015371799469},{"id":"https://openalex.org/C154304650","wikidata":"https://www.wikidata.org/wiki/Q7255577","display_name":"Pseudospectral optimal control","level":5,"score":0.4210563600063324},{"id":"https://openalex.org/C117220453","wikidata":"https://www.wikidata.org/wiki/Q5172842","display_name":"Correlation","level":2,"score":0.42028820514678955},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.4034038782119751},{"id":"https://openalex.org/C177937620","wikidata":"https://www.wikidata.org/wiki/Q7254447","display_name":"Pseudo-spectral method","level":4,"score":0.3560519218444824},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.23985150456428528},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.1807483434677124},{"id":"https://openalex.org/C102519508","wikidata":"https://www.wikidata.org/wiki/Q6520159","display_name":"Fourier transform","level":2,"score":0.15168669819831848},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.13057854771614075},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.09246483445167542},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.08226841688156128},{"id":"https://openalex.org/C203024314","wikidata":"https://www.wikidata.org/wiki/Q1365258","display_name":"Fourier analysis","level":3,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1002/(sici)1096-987x(199808)19:11<1300::aid-jcc10>3.0.co;2-p","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(199808)19:11<1300::aid-jcc10>3.0.co;2-p","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"},{"id":"pmh:oai:CiteSeerX.psu:10.1.1.88.5507","is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.88.5507","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"http://www.princeton.edu/mae/people/faculty/carter/ecdocs/EAC-089.pdf","raw_type":"text"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":19,"referenced_works":["https://openalex.org/W1969258769","https://openalex.org/W1992753351","https://openalex.org/W1999396897","https://openalex.org/W2009731341","https://openalex.org/W2037035785","https://openalex.org/W2038305447","https://openalex.org/W2038496679","https://openalex.org/W2040744647","https://openalex.org/W2044490585","https://openalex.org/W2062340785","https://openalex.org/W2082719796","https://openalex.org/W2088039929","https://openalex.org/W2129123595","https://openalex.org/W2170120409","https://openalex.org/W2484279137","https://openalex.org/W2500371008","https://openalex.org/W2568392743","https://openalex.org/W2798788284","https://openalex.org/W2798909945"],"related_works":["https://openalex.org/W2357738898","https://openalex.org/W1512809069","https://openalex.org/W2009812736","https://openalex.org/W2550657075","https://openalex.org/W2281601070","https://openalex.org/W2761671048","https://openalex.org/W2029764875","https://openalex.org/W1992797739","https://openalex.org/W4388184483","https://openalex.org/W2535295778"],"abstract_inverted_index":{"We":[0,37,53],"present":[1],"a":[2],"method":[3],"of":[4,11,19,24,45,66,74],"fitting":[5],"arbitrary":[6],"functions":[7,60],"to":[8,29,42],"linear":[9],"combinations":[10],"Gaussians.":[12,36],"In":[13],"particular,":[14],"we":[15],"discuss":[16],"an":[17],"adaptation":[18],"Prony's":[20],"method,":[21],"or":[22],"separation":[23],"exponentials,":[25],"which":[26],"allows":[27],"us":[28],"automatically":[30],"select":[31],"appropriate":[32],"exponents":[33],"for":[34,48],"these":[35],"then":[38],"apply":[39],"this":[40],"technique":[41],"the":[43,64,72,75],"selection":[44],"dealiasing":[46,76],"sets":[47],"pseudospectral":[49,67],"electron":[50],"correlation":[51,68],"methods.":[52],"show":[54],"that":[55,61],"it":[56],"can":[57],"successfully":[58],"choose":[59],"generally":[62],"improve":[63],"accuracy":[65],"energies":[69],"while":[70],"reducing":[71],"size":[73],"set":[77],"chosen.":[78],"\u00a9":[79],"1998":[80,91],"John":[81],"Wiley":[82],"&":[83],"Sons,":[84],"Inc.":[85],"J":[86],"Comput":[87],"Chem":[88],"19:":[89],"1300\u20131314,":[90]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-07-29T09:40:50.615796","created_date":"2025-10-10T00:00:00"}
