{"id":"https://openalex.org/W4406157430","doi":"https://doi.org/10.1109/scw63240.2024.00027","title":"Towards Verifying Exact Conditions for Implementations of Density Functional Approximations","display_name":"Towards Verifying Exact Conditions for Implementations of Density Functional Approximations","publication_year":2024,"publication_date":"2024-11-17","ids":{"openalex":"https://openalex.org/W4406157430","doi":"https://doi.org/10.1109/scw63240.2024.00027"},"language":"en","primary_location":{"id":"doi:10.1109/scw63240.2024.00027","is_oa":false,"landing_page_url":"https://doi.org/10.1109/scw63240.2024.00027","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"SC24-W: Workshops of the International Conference for High Performance Computing, Networking, Storage and Analysis","raw_type":"proceedings-article"},"type":"conference-paper","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/A5113377213","display_name":"Sameerah Helal","orcid":null},"institutions":[{"id":"https://openalex.org/I84218800","display_name":"University of California, Davis","ror":"https://ror.org/05rrcem69","country_code":"US","type":"education","lineage":["https://openalex.org/I84218800"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Sameerah Helal","raw_affiliation_strings":["University of California, Davis,Department of Computer Science,Davis,U.S.A"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of California, Davis,Department of Computer Science,Davis,U.S.A","institution_ids":["https://openalex.org/I84218800"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5045582430","display_name":"Zhe Tao","orcid":"https://orcid.org/0000-0002-4047-699X"},"institutions":[{"id":"https://openalex.org/I84218800","display_name":"University of California, Davis","ror":"https://ror.org/05rrcem69","country_code":"US","type":"education","lineage":["https://openalex.org/I84218800"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Zhe Tao","raw_affiliation_strings":["University of California, Davis,Department of Computer Science,Davis,U.S.A"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of California, Davis,Department of Computer Science,Davis,U.S.A","institution_ids":["https://openalex.org/I84218800"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010991469","display_name":"Cindy Rubio-Gonz\u00e1lez","orcid":"https://orcid.org/0000-0002-0861-3763"},"institutions":[{"id":"https://openalex.org/I84218800","display_name":"University of California, Davis","ror":"https://ror.org/05rrcem69","country_code":"US","type":"education","lineage":["https://openalex.org/I84218800"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Cindy Rubio-Gonz\u00e1lez","raw_affiliation_strings":["University of California, Davis,Department of Computer Science,Davis,U.S.A"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of California, Davis,Department of Computer Science,Davis,U.S.A","institution_ids":["https://openalex.org/I84218800"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059555128","display_name":"Fran\u00e7ois Gygi","orcid":"https://orcid.org/0000-0002-2287-6017"},"institutions":[{"id":"https://openalex.org/I84218800","display_name":"University of California, Davis","ror":"https://ror.org/05rrcem69","country_code":"US","type":"education","lineage":["https://openalex.org/I84218800"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Francois Gygi","raw_affiliation_strings":["University of California, Davis,Department of Computer Science,Davis,U.S.A"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of California, Davis,Department of Computer Science,Davis,U.S.A","institution_ids":["https://openalex.org/I84218800"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5029756316","display_name":"Aditya Thakur","orcid":"https://orcid.org/0000-0003-3166-1517"},"institutions":[{"id":"https://openalex.org/I84218800","display_name":"University of California, Davis","ror":"https://ror.org/05rrcem69","country_code":"US","type":"education","lineage":["https://openalex.org/I84218800"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Aditya V. Thakur","raw_affiliation_strings":["University of California, Davis,Department of Computer Science,Davis,U.S.A"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of California, Davis,Department of Computer Science,Davis,U.S.A","institution_ids":["https://openalex.org/I84218800"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I84218800"],"apc_list":null,"apc_paid":null,"fwci":3.0485,"has_fulltext":false,"cited_by_count":2,"citation_normalized_percentile":{"value":0.91419004,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":95,"max":96},"biblio":{"volume":null,"issue":null,"first_page":"160","last_page":"169"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11890","display_name":"Scientific Measurement and Uncertainty Evaluation","score":0.5666999816894531,"subfield":{"id":"https://openalex.org/subfields/1804","display_name":"Statistics, Probability and Uncertainty"},"field":{"id":"https://openalex.org/fields/18","display_name":"Decision Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}},"topics":[{"id":"https://openalex.org/T11890","display_name":"Scientific Measurement and Uncertainty Evaluation","score":0.5666999816894531,"subfield":{"id":"https://openalex.org/subfields/1804","display_name":"Statistics, Probability and Uncertainty"},"field":{"id":"https://openalex.org/fields/18","display_name":"Decision Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}},{"id":"https://openalex.org/T13116","display_name":"Heat Transfer and Numerical Methods","score":0.503000020980835,"subfield":{"id":"https://openalex.org/subfields/2206","display_name":"Computational Mechanics"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/implementation","display_name":"Implementation","score":0.7300238013267517},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6522706151008606},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.3585331439971924},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.3304497003555298},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.2968943119049072}],"concepts":[{"id":"https://openalex.org/C26713055","wikidata":"https://www.wikidata.org/wiki/Q245962","display_name":"Implementation","level":2,"score":0.7300238013267517},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6522706151008606},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.3585331439971924},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.3304497003555298},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.2968943119049072}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1109/scw63240.2024.00027","is_oa":false,"landing_page_url":"https://doi.org/10.1109/scw63240.2024.00027","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"SC24-W: Workshops of the International Conference for High Performance Computing, Networking, Storage and Analysis","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":74,"referenced_works":["https://openalex.org/W105682553","https://openalex.org/W1501145371","https://openalex.org/W1566548834","https://openalex.org/W1614843501","https://openalex.org/W1810694562","https://openalex.org/W1973305402","https://openalex.org/W1974755878","https://openalex.org/W1977146182","https://openalex.org/W1981368803","https://openalex.org/W1987497701","https://openalex.org/W1989474096","https://openalex.org/W1998954599","https://openalex.org/W2007016642","https://openalex.org/W2023271753","https://openalex.org/W2026907619","https://openalex.org/W2030976617","https://openalex.org/W2048653153","https://openalex.org/W2052637367","https://openalex.org/W2104757784","https://openalex.org/W2120145199","https://openalex.org/W2123969193","https://openalex.org/W2128516170","https://openalex.org/W2166280160","https://openalex.org/W2230728100","https://openalex.org/W2295915207","https://openalex.org/W2639728117","https://openalex.org/W2765215749","https://openalex.org/W2769331892","https://openalex.org/W2797985644","https://openalex.org/W2888869175","https://openalex.org/W2904117297","https://openalex.org/W2951307360","https://openalex.org/W2962784850","https://openalex.org/W2963657244","https://openalex.org/W2963928453","https://openalex.org/W2991361483","https://openalex.org/W2996252512","https://openalex.org/W3005181937","https://openalex.org/W3082215798","https://openalex.org/W3129647355","https://openalex.org/W3171270482","https://openalex.org/W3180532914","https://openalex.org/W3201278477","https://openalex.org/W3202198101","https://openalex.org/W3207685501","https://openalex.org/W4230618008","https://openalex.org/W4238564128","https://openalex.org/W4242955624","https://openalex.org/W4249287040","https://openalex.org/W4295779282","https://openalex.org/W4304098329","https://openalex.org/W4321636682","https://openalex.org/W4362723791","https://openalex.org/W4384705412","https://openalex.org/W4387885362","https://openalex.org/W4389389479","https://openalex.org/W6641463539","https://openalex.org/W6641469640","https://openalex.org/W6648262598","https://openalex.org/W6649397018","https://openalex.org/W6661923618","https://openalex.org/W6662650348","https://openalex.org/W6672882725","https://openalex.org/W6674551503","https://openalex.org/W6681103133","https://openalex.org/W6683119176","https://openalex.org/W6716791275","https://openalex.org/W6745174290","https://openalex.org/W6752593574","https://openalex.org/W6780429094","https://openalex.org/W6784413804","https://openalex.org/W6785655149","https://openalex.org/W6843160983","https://openalex.org/W6860153756"],"related_works":["https://openalex.org/W4391375266","https://openalex.org/W2899084033","https://openalex.org/W2748952813","https://openalex.org/W2120447654","https://openalex.org/W2977179488","https://openalex.org/W2051487156","https://openalex.org/W2144453115","https://openalex.org/W2744553356","https://openalex.org/W2128223750","https://openalex.org/W4238532390"],"abstract_inverted_index":{"Density":[0],"Functional":[1],"Theory":[2],"(DFT)":[3],"is":[4,31,76],"used":[5,93,129],"extensively":[6],"in":[7,17,64,130],"the":[8,27,32,35,39,56,65,72,100,110,121,149,153,171],"computation":[9],"of":[10,13,41,47,67,69,84,148,155,170],"electronic":[11],"properties":[12,83],"matter,":[14],"with":[15],"applications":[16],"solid":[18],"state":[19],"physics,":[20],"computational":[21],"chemistry,":[22],"and":[23,125,135],"materials":[24],"science.":[25],"Approximating":[26],"exchange-correlation":[28],"(XC)":[29],"functional":[30,50,75],"key":[33],"to":[34,140,159],"Kohn-Sham":[36],"DFT":[37,43,111],"approach,":[38],"basis":[40],"most":[42],"calculations.":[44],"The":[45],"choice":[46],"this":[48,85],"density":[49,74],"approximation":[51],"(DFA)":[52],"depends":[53],"crucially":[54],"on":[55,117,167],"particular":[57],"system":[58],"under":[59],"study,":[60],"which":[61],"has":[62],"resulted":[63],"development":[66],"hundreds":[68],"DFAs.":[70],"Though":[71],"exact":[73,86,90,112,127],"not":[77],"known,":[78],"researchers":[79],"have":[80],"discovered":[81],"analytical":[82],"functional.":[87],"Furthermore,":[88],"these":[89],"conditions":[91,128,169],"are":[92],"when":[94],"designing":[95],"DFAs.This":[96],"paper":[97],"presents":[98],"XCVerifier,":[99],"first":[101],"approach":[102],"for":[103,145,177],"verifying":[104],"whether":[105],"a":[106,146],"DFA":[107,161],"implementation":[108],"satisfies":[109],"conditions.":[113],"XCVerifier":[114,137],"was":[115,138],"evaluated":[116],"five":[118],"DFAs":[119],"from":[120],"popular":[122],"Libxc":[123],"library":[124],"seven":[126],"recent":[131,172],"work":[132],"by":[133],"Pederson":[134],"Burke.":[136],"able":[139],"verify":[141,160],"or":[142],"find":[143],"violations":[144],"majority":[147],"DFA-condition":[150],"pairs,":[151],"demonstrating":[152],"feasibility":[154],"using":[156],"formal":[157],"methods":[158],"implementations.":[162],"However,":[163],"it":[164],"timed":[165],"out":[166],"all":[168],"SCAN":[173],"functional,":[174],"revealing":[175],"directions":[176],"future":[178],"work.":[179]},"counts_by_year":[{"year":2025,"cited_by_count":2}],"updated_date":"2026-07-29T14:22:42.915294","created_date":"2025-10-10T00:00:00"}