{"id":"https://openalex.org/W3103653340","doi":null,"title":"Density Functional Resonance Theory: complex density functions, convergence, orbital energies, and functionals","display_name":"Density Functional Resonance Theory: complex density functions, convergence, orbital energies, and functionals","publication_year":2012,"publication_date":"2012-01-01","ids":{"openalex":"https://openalex.org/W3103653340","mag":"3103653340"},"language":"en","primary_location":{"id":"pmh:oai:CiteSeerX.psu:10.1.1.751.7653","doi":null,"is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.751.7653","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"http://arxiv.org/pdf/1202.5214.pdf","raw_type":"text"},"volume":null,"type":"preprint","is_traditional":true,"indexed_in":[],"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/A5035214872","display_name":"Daniel Whitenack","orcid":"https://orcid.org/0000-0003-1155-8889","observed_orcids":["https://orcid.org/0000-0003-1155-8889"]},"institutions":[{"id":"https://openalex.org/I219193219","display_name":"Purdue University West Lafayette","ror":"https://ror.org/02dqehb95","country_code":"US","type":"education","lineage":["https://openalex.org/I219193219"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Daniel L. Whitenack","raw_affiliation_strings":["Purdue University 1 Department of Physics, , 525 Northwestern Avenue, West Lafayette, Indiana 47907, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Purdue University 1 Department of Physics, , 525 Northwestern Avenue, West Lafayette, Indiana 47907, USA","institution_ids":["https://openalex.org/I219193219"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5036386532","display_name":"Adam Wasserman","orcid":"https://orcid.org/0000-0002-8037-4453","observed_orcids":["https://orcid.org/0000-0002-8037-4453"]},"institutions":[{"id":"https://openalex.org/I219193219","display_name":"Purdue University West Lafayette","ror":"https://ror.org/02dqehb95","country_code":"US","type":"education","lineage":["https://openalex.org/I219193219"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Adam Wasserman","raw_affiliation_strings":["Purdue University 1 Department of Physics, , 525 Northwestern Avenue, West Lafayette, Indiana 47907, USA","Purdue University 2 Department of Chemistry, , 560 Oval Drive, West Lafayette, Indiana 47907, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Purdue University 1 Department of Physics, , 525 Northwestern Avenue, West Lafayette, Indiana 47907, USA","institution_ids":["https://openalex.org/I219193219"]},{"raw_affiliation_string":"Purdue University 2 Department of Chemistry, , 560 Oval Drive, West Lafayette, Indiana 47907, USA","institution_ids":["https://openalex.org/I219193219"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I219193219"],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":5,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.7279999852180481,"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":0.7279999852180481,"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":0.14000000059604645,"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/T11262","display_name":"Quantum Mechanics and Non-Hermitian Physics","score":0.04170000180602074,"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/complex-scaling-method","display_name":"complex scaling method","score":0.7839999794960022},{"id":"https://openalex.org/keywords/resonance-energy","display_name":"resonance energy","score":0.6290000081062317},{"id":"https://openalex.org/keywords/resonance-lifetimes","display_name":"resonance lifetimes","score":0.7329999804496765},{"id":"https://openalex.org/keywords/kohn-sham-orbitals","display_name":"Kohn-Sham orbitals","score":0.8460000157356262},{"id":"https://openalex.org/keywords/orbital-energies","display_name":"orbital energies","score":0.5960000157356262},{"id":"https://openalex.org/keywords/threshold-energy","display_name":"energy threshold","score":0.6700000166893005},{"id":"https://openalex.org/keywords/basis-set-sensitivity","display_name":"basis set sensitivity","score":0.7120000123977661},{"id":"https://openalex.org/keywords/functionals","display_name":"functionals","score":0.30799999833106995}],"concepts":[{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.7734251022338867},{"id":"https://openalex.org/C99844830","wikidata":"https://www.wikidata.org/wiki/Q102441924","display_name":"Scaling","level":2,"score":0.7113844752311707},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.5799353122711182},{"id":"https://openalex.org/C69523127","wikidata":"https://www.wikidata.org/wiki/Q4480008","display_name":"Ground state","level":2,"score":0.5591316223144531},{"id":"https://openalex.org/C104970782","wikidata":"https://www.wikidata.org/wiki/Q7100054","display_name":"Orbital-free density functional theory","level":4,"score":0.5181792378425598},{"id":"https://openalex.org/C139210041","wikidata":"https://www.wikidata.org/wiki/Q2145840","display_name":"Resonance (particle physics)","level":2,"score":0.5109571814537048},{"id":"https://openalex.org/C183276030","wikidata":"https://www.wikidata.org/wiki/Q1193095","display_name":"Coupling constant","level":2,"score":0.5005176067352295},{"id":"https://openalex.org/C9059619","wikidata":"https://www.wikidata.org/wiki/Q3272140","display_name":"Kohn\u2013Sham equations","level":3,"score":0.48407045006752014},{"id":"https://openalex.org/C20853536","wikidata":"https://www.wikidata.org/wiki/Q4120992","display_name":"Time-dependent density functional theory","level":3,"score":0.45836931467056274},{"id":"https://openalex.org/C14036430","wikidata":"https://www.wikidata.org/wiki/Q3736076","display_name":"Function (biology)","level":2,"score":0.4329245686531067},{"id":"https://openalex.org/C47822265","wikidata":"https://www.wikidata.org/wiki/Q854457","display_name":"Complex system","level":2,"score":0.43164128065109253},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.4275064170360565},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.42463308572769165},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.221329003572464},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.08696764707565308},{"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},{"id":"https://openalex.org/C144024400","wikidata":"https://www.wikidata.org/wiki/Q21201","display_name":"Sociology","level":0,"score":0.0},{"id":"https://openalex.org/C36289849","wikidata":"https://www.wikidata.org/wiki/Q34749","display_name":"Social science","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"pmh:oai:CiteSeerX.psu:10.1.1.751.7653","doi":null,"is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.751.7653","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"http://arxiv.org/pdf/1202.5214.pdf","raw_type":"text"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G6176974563","display_name":"CAREER:  Extending the Range of Applicability of Density-Functional Methods","funder_award_id":"1149968","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":39,"referenced_works":["https://openalex.org/W171105080","https://openalex.org/W285749399","https://openalex.org/W1497069881","https://openalex.org/W1544171083","https://openalex.org/W1550061415","https://openalex.org/W1649271673","https://openalex.org/W1658890454","https://openalex.org/W1967199649","https://openalex.org/W1973870004","https://openalex.org/W1975590659","https://openalex.org/W1979293498","https://openalex.org/W1982285080","https://openalex.org/W1988477799","https://openalex.org/W1996395717","https://openalex.org/W2007797552","https://openalex.org/W2010561889","https://openalex.org/W2010577512","https://openalex.org/W2011762339","https://openalex.org/W2021584170","https://openalex.org/W2030597435","https://openalex.org/W2049172619","https://openalex.org/W2057163700","https://openalex.org/W2058398316","https://openalex.org/W2058809237","https://openalex.org/W2070067184","https://openalex.org/W2072622541","https://openalex.org/W2074679286","https://openalex.org/W2089718304","https://openalex.org/W2090165701","https://openalex.org/W2135825925","https://openalex.org/W2152894503","https://openalex.org/W2157105079","https://openalex.org/W2163308285","https://openalex.org/W2166328036","https://openalex.org/W2173633196","https://openalex.org/W2230728100","https://openalex.org/W2317419914","https://openalex.org/W2320571400","https://openalex.org/W4211182504"],"related_works":["https://openalex.org/W2057163700","https://openalex.org/W3105690138","https://openalex.org/W2094283647","https://openalex.org/W2248536682","https://openalex.org/W585807341","https://openalex.org/W2058809237","https://openalex.org/W2285781906","https://openalex.org/W2299436841","https://openalex.org/W7221776258","https://openalex.org/W7101054391"],"abstract_inverted_index":{"163002":[0],"(2011)],":[1],"a":[2,88,106,134,159],"recently":[3],"developed":[4],"complex-scaled":[5],"version":[6],"of":[7,20,47,54,87,115,128,147,152],"ground-state":[8,148],"Density":[9],"Functional":[10],"Theory":[11],"(DFT),":[12],"are":[13,57,103,141],"studied":[14],"in":[15,76],"detail.":[16],"The":[17,95],"asymptotic":[18],"behavior":[19,41],"the":[21,28,37,55,62,77,112,116,125,129,145],"complex":[22,29],"density":[23],"function":[24],"is":[25,42,70,119],"related":[26,104],"to":[27,61,105,121,124,150],"resonance":[30],"energy":[31,100,114,127],"and":[32,36,80,101,109,111,158],"system\u2019s":[33],"threshold":[34,113,126],"energy,":[35],"function\u2019s":[38],"local":[39],"oscillatory":[40],"connected":[43],"with":[44],"pref-erential":[45],"directions":[46],"electron":[48],"decay.":[49],"Practical":[50],"considerations":[51],"for":[52],"implementation":[53],"theory":[56],"addressed":[58],"including":[59],"sensitivity":[60],"complex-scaling":[63,139],"parameter,":[64],"\u03b8.":[65],"In":[66],"Kohn-Sham":[67,98,117],"DFRT,":[68],"it":[69],"shown":[71,120],"that":[72],"almost":[73],"all":[74],"\u03b8-dependence":[75],"calculated":[78],"energies":[79],"lifetimes":[81],"can":[82],"be":[83,122],"extinguished":[84],"via":[85,154],"use":[86],"proper":[89,155],"basis":[90],"set":[91],"or":[92],"fine":[93],"grid.":[94],"highest":[96],"occupied":[97],"orbital":[99],"lifetime":[102],"physical":[107],"affinity":[108],"width,":[110],"system":[118,131],"equal":[123],"interacting":[130],"shifted":[132],"by":[133],"well-defined":[135],"functional.":[136],"Finally,":[137],"various":[138],"conditions":[140],"derived":[142],"which":[143],"relate":[144],"functionals":[146],"DFT":[149],"those":[151],"DFRT":[153],"scaling":[156],"factors":[157],"non-Hermitian":[160],"coupling":[161],"constant":[162],"system.":[163]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":1}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2020-11-23T00:00:00"}
