{"id":"https://openalex.org/W2104799861","doi":"https://doi.org/10.1002/jcc.540150402","title":"Normal coordinates\u2013finite elements calculation of 3D vibrational energy levels: Henon\u2014Heiles and Eckart potentials, H molecule","display_name":"Normal coordinates\u2013finite elements calculation of 3D vibrational energy levels: Henon\u2014Heiles and Eckart potentials, H molecule","publication_year":1994,"publication_date":"1994-04-01","ids":{"openalex":"https://openalex.org/W2104799861","doi":"https://doi.org/10.1002/jcc.540150402","mag":"2104799861"},"language":"en","primary_location":{"id":"doi:10.1002/jcc.540150402","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.540150402","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/A5059635486","display_name":"Jos\u00e9 Ram\u00f3n Alvarez Collado","orcid":"https://orcid.org/0000-0002-1036-2465"},"institutions":[{"id":"https://openalex.org/I63634437","display_name":"Universidad Aut\u00f3noma de Madrid","ror":"https://ror.org/01cby8j38","country_code":"ES","type":"education","lineage":["https://openalex.org/I63634437"]}],"countries":["ES"],"is_corresponding":true,"raw_author_name":"J. R. Alvarez\u2013collado","raw_affiliation_strings":["Departamento Qui\u0301mica-Fi\u0301sica Aplicada, Universidad Auto\u0301noma de Madrid, Spain","Departamento Qu\u00edmica-F\u00edsica Aplicada, Universidad Aut\u00f3noma de Madrid, Spain"],"affiliations":[{"raw_affiliation_string":"Departamento Qui\u0301mica-Fi\u0301sica Aplicada, Universidad Auto\u0301noma de Madrid, Spain","institution_ids":["https://openalex.org/I63634437"]},{"raw_affiliation_string":"Departamento Qu\u00edmica-F\u00edsica Aplicada, Universidad Aut\u00f3noma de Madrid, Spain","institution_ids":["https://openalex.org/I63634437"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5059635486"],"corresponding_institution_ids":["https://openalex.org/I63634437"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":0.51,"has_fulltext":false,"cited_by_count":4,"citation_normalized_percentile":{"value":0.62764053,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":94},"biblio":{"volume":"15","issue":"4","first_page":"377","last_page":"384"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10523","display_name":"Atomic and Molecular Physics","score":0.9998000264167786,"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/T10523","display_name":"Atomic and Molecular Physics","score":0.9998000264167786,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9995999932289124,"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/T10425","display_name":"Cold Atom Physics and Bose-Einstein Condensates","score":0.9972000122070312,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/hamiltonian","display_name":"Hamiltonian (control theory)","score":0.6529261469841003},{"id":"https://openalex.org/keywords/normal-coordinates","display_name":"Normal coordinates","score":0.5746022462844849},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.5168728828430176},{"id":"https://openalex.org/keywords/finite-element-method","display_name":"Finite element method","score":0.445480078458786},{"id":"https://openalex.org/keywords/classical-mechanics","display_name":"Classical mechanics","score":0.40587228536605835},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.38914430141448975},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.3599048852920532},{"id":"https://openalex.org/keywords/mathematical-physics","display_name":"Mathematical physics","score":0.34115561842918396},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.24601060152053833},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.24289613962173462},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.2345571219921112},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.10581597685813904}],"concepts":[{"id":"https://openalex.org/C130787639","wikidata":"https://www.wikidata.org/wiki/Q5645293","display_name":"Hamiltonian (control theory)","level":2,"score":0.6529261469841003},{"id":"https://openalex.org/C163464917","wikidata":"https://www.wikidata.org/wiki/Q2152232","display_name":"Normal coordinates","level":3,"score":0.5746022462844849},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.5168728828430176},{"id":"https://openalex.org/C135628077","wikidata":"https://www.wikidata.org/wiki/Q220184","display_name":"Finite element method","level":2,"score":0.445480078458786},{"id":"https://openalex.org/C74650414","wikidata":"https://www.wikidata.org/wiki/Q11397","display_name":"Classical mechanics","level":1,"score":0.40587228536605835},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.38914430141448975},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3599048852920532},{"id":"https://openalex.org/C37914503","wikidata":"https://www.wikidata.org/wiki/Q156495","display_name":"Mathematical physics","level":1,"score":0.34115561842918396},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.24601060152053833},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.24289613962173462},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2345571219921112},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.10581597685813904},{"id":"https://openalex.org/C126255220","wikidata":"https://www.wikidata.org/wiki/Q141495","display_name":"Mathematical optimization","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/jcc.540150402","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.540150402","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":[{"id":"https://metadata.un.org/sdg/7","display_name":"Affordable and clean energy","score":0.8199999928474426}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":46,"referenced_works":["https://openalex.org/W161692652","https://openalex.org/W1536008765","https://openalex.org/W1536072817","https://openalex.org/W1556559448","https://openalex.org/W1592958377","https://openalex.org/W1965187793","https://openalex.org/W1965472918","https://openalex.org/W1967442207","https://openalex.org/W1986304335","https://openalex.org/W1991387063","https://openalex.org/W1991497034","https://openalex.org/W1993976602","https://openalex.org/W1997592029","https://openalex.org/W2005319895","https://openalex.org/W2010216141","https://openalex.org/W2011324528","https://openalex.org/W2012383758","https://openalex.org/W2020017746","https://openalex.org/W2020030750","https://openalex.org/W2024575632","https://openalex.org/W2025792306","https://openalex.org/W2040786545","https://openalex.org/W2046977823","https://openalex.org/W2047964646","https://openalex.org/W2059518200","https://openalex.org/W2059586807","https://openalex.org/W2064664708","https://openalex.org/W2069075205","https://openalex.org/W2073408164","https://openalex.org/W2074023371","https://openalex.org/W2074723508","https://openalex.org/W2081401819","https://openalex.org/W2082896638","https://openalex.org/W2087628771","https://openalex.org/W2089988158","https://openalex.org/W2097328961","https://openalex.org/W2119257079","https://openalex.org/W2121514624","https://openalex.org/W2141715868","https://openalex.org/W2155103946","https://openalex.org/W2170173923","https://openalex.org/W2568342123","https://openalex.org/W2742593517","https://openalex.org/W2882993421","https://openalex.org/W2887962938","https://openalex.org/W4242624613"],"related_works":["https://openalex.org/W2075972694","https://openalex.org/W4238581249","https://openalex.org/W1983586807","https://openalex.org/W1640151394","https://openalex.org/W1608333910","https://openalex.org/W3101093746","https://openalex.org/W2083597126","https://openalex.org/W2139941655","https://openalex.org/W2002993959","https://openalex.org/W1995457531"],"abstract_inverted_index":{"Abstract":[0],"Theoretical":[1],"and":[2,38,41,47,75],"numerical":[3],"results":[4,49,77],"related":[5],"to":[6],"the":[7,18,42,59,69,76,82],"calculation":[8],"of":[9,17,21,68],"multidimensional":[10],"vibrational":[11,63],"levels":[12],"are":[13,45,50,79],"presented.":[14],"A":[15],"description":[16],"methodological":[19],"details":[20],"a":[22,62],"very":[23],"general":[24],"method":[25],"(normal":[26],"coordinates\u2013finite":[27],"elements,":[28],"NC\u2013FEM)":[29],"is":[30,73],"provided.":[31],"Several":[32],"representative":[33],"three\u2010dimensional":[34],"(3D)":[35],"systems":[36],"(Henon\u2013Heiles":[37],"Eckart":[39],"potentials,":[40],"H":[43,60],"molecule)":[44],"studied,":[46],"NC\u2013FEM":[48],"compared":[51,80],"with":[52,81],"those":[53],"published":[54],"by":[55,87],"other":[56],"authors.":[57],"For":[58],",":[61],"Hamiltonian":[64],"expressed":[65],"in":[66],"terms":[67],"three":[70],"internuclear":[71],"distances":[72],"integrated,":[74],"obtained":[78],"experimental":[83],"ones.":[84],"\u00a9":[85],"1994":[86],"John":[88],"Wiley":[89],"&amp;":[90],"Sons,":[91],"Inc.":[92]},"counts_by_year":[{"year":2015,"cited_by_count":1}],"updated_date":"2026-04-04T16:13:02.066488","created_date":"2025-10-10T00:00:00"}
