{"id":"https://openalex.org/W2033052540","doi":"https://doi.org/10.1002/1096-987x(20001130)21:15<1375::aid-jcc5>3.0.co;2-2","title":"Accurate and efficient determination of higher roots in diagonalization of large matrices based in function restricted optimization algorithms","display_name":"Accurate and efficient determination of higher roots in diagonalization of large matrices based in function restricted optimization algorithms","publication_year":2000,"publication_date":"2000-01-01","ids":{"openalex":"https://openalex.org/W2033052540","doi":"https://doi.org/10.1002/1096-987x(20001130)21:15<1375::aid-jcc5>3.0.co;2-2","mag":"2033052540"},"language":"en","primary_location":{"id":"doi:10.1002/1096-987x(20001130)21:15<1375::aid-jcc5>3.0.co;2-2","is_oa":false,"landing_page_url":"https://doi.org/10.1002/1096-987x(20001130)21:15<1375::aid-jcc5>3.0.co;2-2","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/A5045879904","display_name":"Josep Mar\u00eda Bofill","orcid":"https://orcid.org/0000-0002-0974-4618"},"institutions":[{"id":"https://openalex.org/I71999127","display_name":"Universitat de Barcelona","ror":"https://ror.org/021018s57","country_code":"ES","type":"education","lineage":["https://openalex.org/I71999127"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Josep Maria Bofill","raw_affiliation_strings":["Departament de Qu\u00edmica Org\u00e0nica i Centre Especial de Recerca en Qu\u00edmica Te\u00f2rica, Universitat de Barcelona, Mart\u00ed i Franqu\u00e8s 1, E-08028 Barcelona, Catalunya, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departament de Qu\u00edmica Org\u00e0nica i Centre Especial de Recerca en Qu\u00edmica Te\u00f2rica, Universitat de Barcelona, Mart\u00ed i Franqu\u00e8s 1, E-08028 Barcelona, Catalunya, Spain","institution_ids":["https://openalex.org/I71999127"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Ib\ufffdrio de Pinho Ribeiro Moreira","orcid":null},"institutions":[{"id":"https://openalex.org/I71999127","display_name":"Universitat de Barcelona","ror":"https://ror.org/021018s57","country_code":"ES","type":"education","lineage":["https://openalex.org/I71999127"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Ib\ufffdrio de Pinho Ribeiro Moreira","raw_affiliation_strings":["Departament de Qu\u00edmica F\u00edsica i Centre Especial de Recerca en Qu\u00edmica Te\u00f2rica, Universitat de Barcelona, Mart\u00ed i Franqu\u00e8s 1, E\u201008028 Barcelona, Catalunya, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departament de Qu\u00edmica F\u00edsica i Centre Especial de Recerca en Qu\u00edmica Te\u00f2rica, Universitat de Barcelona, Mart\u00ed i Franqu\u00e8s 1, E\u201008028 Barcelona, Catalunya, Spain","institution_ids":["https://openalex.org/I71999127"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067761441","display_name":"Josep M. Anglada","orcid":"https://orcid.org/0000-0003-4526-3624"},"institutions":[{"id":"https://openalex.org/I134820265","display_name":"Consejo Superior de Investigaciones Cient\u00edficas","ror":"https://ror.org/02gfc7t72","country_code":"ES","type":"government","lineage":["https://openalex.org/I134820265"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Josep Maria Anglada","raw_affiliation_strings":["Institut de Investigacions Qu\u00edmiques i Ambientals de Barcelona, CSIC, Jordi Girona Salgado 18-26, E-08034 Barcelona, Catalunya, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institut de Investigacions Qu\u00edmiques i Ambientals de Barcelona, CSIC, Jordi Girona Salgado 18-26, E-08034 Barcelona, Catalunya, Spain","institution_ids":["https://openalex.org/I134820265"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5012273051","display_name":"Francesc Illas","orcid":null},"institutions":[{"id":"https://openalex.org/I71999127","display_name":"Universitat de Barcelona","ror":"https://ror.org/021018s57","country_code":"ES","type":"education","lineage":["https://openalex.org/I71999127"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Francesc Illas","raw_affiliation_strings":["Departament de Qu\u00edmica F\u00edsica i Centre Especial de Recerca en Qu\u00edmica Te\u00f2rica, Universitat de Barcelona, Mart\u00ed i Franqu\u00e8s 1, E\u201008028 Barcelona, Catalunya, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departament de Qu\u00edmica F\u00edsica i Centre Especial de Recerca en Qu\u00edmica Te\u00f2rica, Universitat de Barcelona, Mart\u00ed i Franqu\u00e8s 1, E\u201008028 Barcelona, Catalunya, Spain","institution_ids":["https://openalex.org/I71999127"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":4520,"currency":"USD","value_usd":4520},"apc_paid":null,"fwci":1.854,"has_fulltext":false,"cited_by_count":10,"citation_normalized_percentile":{"value":0.85095954,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":95},"biblio":{"volume":"21","issue":"15","first_page":"1375","last_page":"1386"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10792","display_name":"Matrix Theory and Algorithms","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10792","display_name":"Matrix Theory and Algorithms","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11809","display_name":"Advanced NMR Techniques and Applications","score":0.9896000027656555,"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/T10963","display_name":"Advanced Optimization Algorithms Research","score":0.9873999953269958,"subfield":{"id":"https://openalex.org/subfields/2612","display_name":"Numerical Analysis"},"field":{"id":"https://openalex.org/fields/26","display_name":"Mathematics"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.6118885278701782},{"id":"https://openalex.org/keywords/function","display_name":"Function (biology)","score":0.5525203943252563},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.43955305218696594},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.42874905467033386},{"id":"https://openalex.org/keywords/applied-mathematics","display_name":"Applied mathematics","score":0.42280369997024536},{"id":"https://openalex.org/keywords/mathematical-optimization","display_name":"Mathematical optimization","score":0.3397170305252075}],"concepts":[{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.6118885278701782},{"id":"https://openalex.org/C14036430","wikidata":"https://www.wikidata.org/wiki/Q3736076","display_name":"Function (biology)","level":2,"score":0.5525203943252563},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.43955305218696594},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.42874905467033386},{"id":"https://openalex.org/C28826006","wikidata":"https://www.wikidata.org/wiki/Q33521","display_name":"Applied mathematics","level":1,"score":0.42280369997024536},{"id":"https://openalex.org/C126255220","wikidata":"https://www.wikidata.org/wiki/Q141495","display_name":"Mathematical optimization","level":1,"score":0.3397170305252075},{"id":"https://openalex.org/C78458016","wikidata":"https://www.wikidata.org/wiki/Q840400","display_name":"Evolutionary biology","level":1,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/1096-987x(20001130)21:15<1375::aid-jcc5>3.0.co;2-2","is_oa":false,"landing_page_url":"https://doi.org/10.1002/1096-987x(20001130)21:15<1375::aid-jcc5>3.0.co;2-2","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":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320323428","display_name":"Universitat de Barcelona","ror":"https://ror.org/021018s57"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":43,"referenced_works":["https://openalex.org/W13276385","https://openalex.org/W84759582","https://openalex.org/W1563653928","https://openalex.org/W1596798169","https://openalex.org/W1680579736","https://openalex.org/W1966182479","https://openalex.org/W1967575228","https://openalex.org/W1971893364","https://openalex.org/W1975319829","https://openalex.org/W1979704210","https://openalex.org/W1983537157","https://openalex.org/W1984536994","https://openalex.org/W1987773580","https://openalex.org/W1988583358","https://openalex.org/W1991760834","https://openalex.org/W1994998017","https://openalex.org/W2005724054","https://openalex.org/W2007663400","https://openalex.org/W2009596258","https://openalex.org/W2015251591","https://openalex.org/W2016713983","https://openalex.org/W2028302592","https://openalex.org/W2032898330","https://openalex.org/W2038451362","https://openalex.org/W2046002177","https://openalex.org/W2054960930","https://openalex.org/W2056914158","https://openalex.org/W2059238508","https://openalex.org/W2062294426","https://openalex.org/W2062340785","https://openalex.org/W2073318058","https://openalex.org/W2076312982","https://openalex.org/W2076516143","https://openalex.org/W2077658674","https://openalex.org/W2083479055","https://openalex.org/W2092675267","https://openalex.org/W2097609461","https://openalex.org/W2114760564","https://openalex.org/W2117686912","https://openalex.org/W2214429610","https://openalex.org/W3142915818","https://openalex.org/W4212997115","https://openalex.org/W4251656402"],"related_works":["https://openalex.org/W1979597421","https://openalex.org/W2007980826","https://openalex.org/W4245490552","https://openalex.org/W4225152035","https://openalex.org/W2061531152","https://openalex.org/W3002753104","https://openalex.org/W2077600819","https://openalex.org/W1587224694","https://openalex.org/W2911598644","https://openalex.org/W2142036596"],"abstract_inverted_index":{"The":[0,36,53],"problem":[1,21],"of":[2,11,22,38,50,67,73,84,139],"large-scale":[3],"matrix":[4],"diagonalization":[5,54,86,140,144],"is":[6,41,56,109,155],"analyzed":[7],"in":[8,60,88,119,129,136,160],"the":[9,20,71,82,96,114,137,152],"context":[10],"normal":[12,130],"function":[13,30,106,131],"optimization":[14,32,68,98,107,132],"techniques":[15],"with":[16,146],"particular":[17,97],"emphasis":[18],"on":[19,29,95],"obtaining":[23,89,113],"high":[24],"roots.":[25],"New":[26],"methods":[27,40],"based":[28],"restricted":[31],"algorithms":[33],"are":[34,134,166],"presented.":[35,156],"efficiency":[37],"these":[39],"illustrated":[42],"for":[43],"lowest":[44,115],"and":[45,47,63,70,116,163],"higher":[46,117,162],"degenerate":[48,164],"roots":[49],"selected":[51],"matrices.":[52],"process":[55,154],"commonly":[57],"carried":[58],"out":[59],"a":[61,65,85,90,104,143,147],"subspace,":[62],"involves":[64],"sort":[66],"process,":[69],"dimension":[72,150],"this":[74,102],"subspace":[75,149],"increases":[76],"at":[77],"each":[78],"iteration.":[79],"In":[80,101],"addition,":[81],"success":[83],"method":[87,145],"desired":[91],"root":[92],"strongly":[93],"depends":[94],"procedure":[99,108],"chosen.":[100],"work,":[103],"rational":[105],"presented":[110],"that":[111],"permits":[112],"eigenpairs":[118,165],"an":[120],"efficient":[121],"way.":[122],"Update":[123],"Hessian":[124],"matrices":[125],"formulae,":[126],"routinely":[127],"used":[128],"problems,":[133],"explored":[135],"framework":[138],"techniques.":[141],"Finally,":[142],"fixed":[148],"during":[151],"iterative":[153],"Some":[157],"examples":[158],"focused":[159],"lowest,":[161],"discussed.":[167],"\u00a9":[168],"2000":[169,180],"John":[170],"Wiley":[171],"&":[172],"Sons,":[173],"Inc.":[174],"J":[175],"Comput":[176],"Chem":[177],"21:":[178],"1375\u20131386,":[179]},"counts_by_year":[{"year":2025,"cited_by_count":1}],"updated_date":"2026-08-21T09:56:20.448147","created_date":"2025-10-10T00:00:00"}
