{"id":"https://openalex.org/W2047769480","doi":"https://doi.org/10.1002/(sici)1096-987x(19990130)20:2<274::aid-jcc9>3.0.co;2-z","title":"Comparison of basis set superposition error corrected perturbation theories for calculating intermolecular interaction energies","display_name":"Comparison of basis set superposition error corrected perturbation theories for calculating intermolecular interaction energies","publication_year":1999,"publication_date":"1999-01-30","ids":{"openalex":"https://openalex.org/W2047769480","doi":"https://doi.org/10.1002/(sici)1096-987x(19990130)20:2<274::aid-jcc9>3.0.co;2-z","mag":"2047769480"},"language":"en","primary_location":{"id":"doi:10.1002/(sici)1096-987x(19990130)20:2<274::aid-jcc9>3.0.co;2-z","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(19990130)20:2<274::aid-jcc9>3.0.co;2-z","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":null,"display_name":"G. J. Hal\ufffdsz","orcid":null},"institutions":[{"id":"https://openalex.org/I132735039","display_name":"University of Debrecen","ror":"https://ror.org/02xf66n48","country_code":"HU","type":"education","lineage":["https://openalex.org/I132735039"]}],"countries":["HU"],"is_corresponding":false,"raw_author_name":"G. J. Hal\ufffdsz","raw_affiliation_strings":["Institute of Mathematics and Informatics, Kossuth Lajos University, P.O. Box 12, H\u20104010 Debrecen, Hungary"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Mathematics and Informatics, Kossuth Lajos University, P.O. Box 12, H\u20104010 Debrecen, Hungary","institution_ids":["https://openalex.org/I132735039"]}]},{"author_position":"middle","author":{"id":null,"display_name":"\ufffd. Vib\ufffdk","orcid":null},"institutions":[{"id":"https://openalex.org/I132735039","display_name":"University of Debrecen","ror":"https://ror.org/02xf66n48","country_code":"HU","type":"education","lineage":["https://openalex.org/I132735039"]}],"countries":["HU"],"is_corresponding":false,"raw_author_name":"\ufffd. Vib\ufffdk","raw_affiliation_strings":["Institute of Theoretical Physics, Kossuth Lajos University, H\u20104010 Debrecen, Hungary"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Theoretical Physics, Kossuth Lajos University, H\u20104010 Debrecen, Hungary","institution_ids":["https://openalex.org/I132735039"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5076498406","display_name":"I. Mayer","orcid":"https://orcid.org/0000-0002-7959-677X"},"institutions":[{"id":"https://openalex.org/I80251312","display_name":"HUN-REN Research Centre for Natural Sciences","ror":"https://ror.org/03zwxja46","country_code":"HU","type":"facility","lineage":["https://openalex.org/I4387152226","https://openalex.org/I80251312"]}],"countries":["HU"],"is_corresponding":false,"raw_author_name":"I. Mayer","raw_affiliation_strings":["Institute of Chemistry, Chemical Research Center, Hungarian Academy of Sciences, P.O. Box 17, H-1525 Budapest, Hungary","Institute of Chemistry, Chemical Research Center , Hungarian Academy of Sciences , P.O.Box, 17, H-1525, Budapest, Hungary"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Chemistry, Chemical Research Center, Hungarian Academy of Sciences, P.O. Box 17, H-1525 Budapest, Hungary","institution_ids":["https://openalex.org/I80251312"]},{"raw_affiliation_string":"Institute of Chemistry, Chemical Research Center , Hungarian Academy of Sciences , P.O.Box, 17, H-1525, Budapest, Hungary","institution_ids":["https://openalex.org/I80251312"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":2.1153,"has_fulltext":false,"cited_by_count":16,"citation_normalized_percentile":{"value":0.86806569,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"20","issue":"2","first_page":"274","last_page":"283"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":1.0,"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":1.0,"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":0.9997000098228455,"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":0.9954000115394592,"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/basis-set","display_name":"Basis set","score":0.6261190176010132},{"id":"https://openalex.org/keywords/electronic-correlation","display_name":"Electronic correlation","score":0.6071878671646118},{"id":"https://openalex.org/keywords/a-priori-and-a-posteriori","display_name":"A priori and a posteriori","score":0.60015469789505},{"id":"https://openalex.org/keywords/perturbation-theory","display_name":"Perturbation theory (quantum mechanics)","score":0.5985177755355835},{"id":"https://openalex.org/keywords/superposition-principle","display_name":"Superposition principle","score":0.5741154551506042},{"id":"https://openalex.org/keywords/intermolecular-force","display_name":"Intermolecular force","score":0.5701550841331482},{"id":"https://openalex.org/keywords/hamiltonian","display_name":"Hamiltonian (control theory)","score":0.5448058843612671},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5301034450531006},{"id":"https://openalex.org/keywords/interaction-energy","display_name":"Interaction energy","score":0.49504271149635315},{"id":"https://openalex.org/keywords/wave-function","display_name":"Wave function","score":0.48477429151535034},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.4455733597278595},{"id":"https://openalex.org/keywords/perturbation","display_name":"Perturbation (astronomy)","score":0.4395034909248352},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.4122184216976166},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.38979896903038025},{"id":"https://openalex.org/keywords/electron","display_name":"Electron","score":0.33357104659080505},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.31758129596710205},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.29500770568847656},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.16572478413581848},{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"Density functional theory","score":0.13353323936462402}],"concepts":[{"id":"https://openalex.org/C65956243","wikidata":"https://www.wikidata.org/wiki/Q2664086","display_name":"Basis set","level":3,"score":0.6261190176010132},{"id":"https://openalex.org/C35052450","wikidata":"https://www.wikidata.org/wiki/Q2733663","display_name":"Electronic correlation","level":3,"score":0.6071878671646118},{"id":"https://openalex.org/C75553542","wikidata":"https://www.wikidata.org/wiki/Q178161","display_name":"A priori and a posteriori","level":2,"score":0.60015469789505},{"id":"https://openalex.org/C174256460","wikidata":"https://www.wikidata.org/wiki/Q911364","display_name":"Perturbation theory (quantum mechanics)","level":2,"score":0.5985177755355835},{"id":"https://openalex.org/C27753989","wikidata":"https://www.wikidata.org/wiki/Q284885","display_name":"Superposition principle","level":2,"score":0.5741154551506042},{"id":"https://openalex.org/C166950319","wikidata":"https://www.wikidata.org/wiki/Q245031","display_name":"Intermolecular force","level":3,"score":0.5701550841331482},{"id":"https://openalex.org/C130787639","wikidata":"https://www.wikidata.org/wiki/Q5645293","display_name":"Hamiltonian (control theory)","level":2,"score":0.5448058843612671},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5301034450531006},{"id":"https://openalex.org/C22499117","wikidata":"https://www.wikidata.org/wiki/Q2253702","display_name":"Interaction energy","level":3,"score":0.49504271149635315},{"id":"https://openalex.org/C113603373","wikidata":"https://www.wikidata.org/wiki/Q2362761","display_name":"Wave function","level":2,"score":0.48477429151535034},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4455733597278595},{"id":"https://openalex.org/C177918212","wikidata":"https://www.wikidata.org/wiki/Q803623","display_name":"Perturbation (astronomy)","level":2,"score":0.4395034909248352},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.4122184216976166},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.38979896903038025},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.33357104659080505},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.31758129596710205},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.29500770568847656},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.16572478413581848},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.13353323936462402},{"id":"https://openalex.org/C111472728","wikidata":"https://www.wikidata.org/wiki/Q9471","display_name":"Epistemology","level":1,"score":0.0},{"id":"https://openalex.org/C126255220","wikidata":"https://www.wikidata.org/wiki/Q141495","display_name":"Mathematical optimization","level":1,"score":0.0},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/(sici)1096-987x(19990130)20:2<274::aid-jcc9>3.0.co;2-z","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(19990130)20:2<274::aid-jcc9>3.0.co;2-z","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"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.6299999952316284,"id":"https://metadata.un.org/sdg/7","display_name":"Affordable and clean energy"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":25,"referenced_works":["https://openalex.org/W86576284","https://openalex.org/W1518119895","https://openalex.org/W1597937578","https://openalex.org/W1598318597","https://openalex.org/W1966245448","https://openalex.org/W1975829446","https://openalex.org/W1990958365","https://openalex.org/W2021762265","https://openalex.org/W2023121071","https://openalex.org/W2028496578","https://openalex.org/W2033957707","https://openalex.org/W2070864462","https://openalex.org/W2078850127","https://openalex.org/W2080015013","https://openalex.org/W2080994142","https://openalex.org/W2086017999","https://openalex.org/W2093229433","https://openalex.org/W2102038849","https://openalex.org/W2107280763","https://openalex.org/W2128317687","https://openalex.org/W2139184770","https://openalex.org/W2148941593","https://openalex.org/W2149425907","https://openalex.org/W2169332393","https://openalex.org/W4237094368"],"related_works":["https://openalex.org/W1999962292","https://openalex.org/W1971655659","https://openalex.org/W2006434374","https://openalex.org/W2076142159","https://openalex.org/W1496237580","https://openalex.org/W1973902342","https://openalex.org/W2745992736","https://openalex.org/W2052718638","https://openalex.org/W73902440","https://openalex.org/W2009846055"],"abstract_inverted_index":{"Recently,":[0],"two":[1,108],"different":[2,70,117],"but":[3],"conceptually":[4],"similar":[5],"basis":[6,71],"set":[7],"superposition":[8],"error":[9],"(BSSE)":[10],"free":[11],"second-order":[12],"perturbation":[13],"theoretical":[14],"schemes":[15,49],"were":[16],"developed":[17],"by":[18],"us":[19],"that":[20,80],"are":[21,56,112],"being":[22],"based":[23],"on":[24],"the":[25,41,51,81,88,99,107,116,126],"chemical":[26],"Hamiltonian":[27],"approach":[28],"(CHA).":[29],"Using":[30],"these":[31],"CHA-MP2":[32],"and":[33,44,66],"CHA-PT2":[34],"methods,":[35],"a":[36,42,45],"comparison":[37],"is":[38,84,94,101],"made":[39],"between":[40],"posteriori":[43],"priori":[46],"BSSE":[47,82,100],"correction":[48],"at":[50],"correlated":[52],"level.":[53],"Sample":[54],"calculations":[55],"presented":[57],"for":[58,123],"four":[59],"hydrogen":[60],"bonded":[61],"complexes":[62],"(HF\uf8fcH3N,":[63],"HF\uf8fcH2O,":[64],"H2S\uf8fcHF,":[65],"H2O\uf8fcHCl)":[67],"in":[68,87],"nine":[69],"sets":[72,121],"(from":[73],"6\u201331G":[74],"to":[75],"TZV**++).":[76],"The":[77,104],"results":[78],"show":[79],"content":[83],"very":[85,102],"significant":[86],"interaction":[89],"energy":[90],"if":[91],"electron":[92,119],"correlation":[93],"accounted":[95],"for,":[96],"so":[97],"removing":[98],"important.":[103],"differences":[105],"of":[106],"perturbational":[109],"theories":[110],"discussed":[111],"connected":[113],"solely":[114],"with":[115],"one":[118],"orbital":[120],"used":[122],"building":[124],"up":[125],"unperturbed":[127],"single":[128],"determinant":[129],"wave":[130],"function.":[131],"\u00a91999":[132],"John":[133],"Wiley":[134],"&":[135],"Sons,":[136],"Inc.":[137],"J":[138],"Comput":[139],"Chem":[140],"20:":[141],"274\u2013283,":[142],"1999":[143]},"counts_by_year":[],"updated_date":"2026-06-22T06:23:43.705686","created_date":"2016-06-24T00:00:00"}