{"id":"https://openalex.org/W2983963325","doi":"https://doi.org/10.3390/computation7040065","title":"The Role of the Reduced Laplacian Renormalization in the Kinetic Energy Functional Development","display_name":"The Role of the Reduced Laplacian Renormalization in the Kinetic Energy Functional Development","publication_year":2019,"publication_date":"2019-11-12","ids":{"openalex":"https://openalex.org/W2983963325","doi":"https://doi.org/10.3390/computation7040065","mag":"2983963325"},"language":"en","primary_location":{"id":"doi:10.3390/computation7040065","is_oa":true,"landing_page_url":"https://doi.org/10.3390/computation7040065","pdf_url":"https://www.mdpi.com/2079-3197/7/4/65/pdf?version=1574473060","source":{"id":"https://openalex.org/S2738402919","display_name":"Computation","issn_l":"2079-3197","issn":["2079-3197"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computation","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.mdpi.com/2079-3197/7/4/65/pdf?version=1574473060","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5023543793","display_name":"Szymon \u015amiga","orcid":"https://orcid.org/0000-0002-5941-5409"},"institutions":[{"id":"https://openalex.org/I3019271933","display_name":"Nicolaus Copernicus University","ror":"https://ror.org/0102mm775","country_code":"PL","type":"education","lineage":["https://openalex.org/I3019271933"]},{"id":"https://openalex.org/I4210086947","display_name":"Institute of Physics","ror":"https://ror.org/000sfad56","country_code":"PL","type":"facility","lineage":["https://openalex.org/I4210086947","https://openalex.org/I99542240"]}],"countries":["PL"],"is_corresponding":true,"raw_author_name":"Szymon \u015amiga","raw_affiliation_strings":["Institute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University, Grudziadzka 5, 87-100 Torun, Poland"],"raw_orcid":"https://orcid.org/0000-0002-5941-5409","affiliations":[{"raw_affiliation_string":"Institute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University, Grudziadzka 5, 87-100 Torun, Poland","institution_ids":["https://openalex.org/I4210086947","https://openalex.org/I3019271933"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5056809505","display_name":"Lucian A. Constantin","orcid":"https://orcid.org/0000-0001-8923-3203"},"institutions":[{"id":"https://openalex.org/I30771326","display_name":"Italian Institute of Technology","ror":"https://ror.org/042t93s57","country_code":"IT","type":"facility","lineage":["https://openalex.org/I30771326"]},{"id":"https://openalex.org/I4210143067","display_name":"Center for Biomolecular Nanotechnologies","ror":"https://ror.org/05bykpb13","country_code":"IT","type":"facility","lineage":["https://openalex.org/I30771326","https://openalex.org/I4210143067"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Lucian A. Constantin","raw_affiliation_strings":["Center for Biomolecular Nanotechnologies @UNILE, Istituto Italiano di Tecnologia (IIT), Via Barsanti, 73010 Arnesano (LE), Italy"],"raw_orcid":"https://orcid.org/0000-0001-8923-3203","affiliations":[{"raw_affiliation_string":"Center for Biomolecular Nanotechnologies @UNILE, Istituto Italiano di Tecnologia (IIT), Via Barsanti, 73010 Arnesano (LE), Italy","institution_ids":["https://openalex.org/I4210143067","https://openalex.org/I30771326"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038671203","display_name":"Fabio Della Sala","orcid":"https://orcid.org/0000-0003-0940-8830"},"institutions":[{"id":"https://openalex.org/I30771326","display_name":"Italian Institute of Technology","ror":"https://ror.org/042t93s57","country_code":"IT","type":"facility","lineage":["https://openalex.org/I30771326"]},{"id":"https://openalex.org/I4210143067","display_name":"Center for Biomolecular Nanotechnologies","ror":"https://ror.org/05bykpb13","country_code":"IT","type":"facility","lineage":["https://openalex.org/I30771326","https://openalex.org/I4210143067"]},{"id":"https://openalex.org/I4210165120","display_name":"Institute for Microelectronics and Microsystems","ror":"https://ror.org/05vk2g845","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210155236","https://openalex.org/I4210165120"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Fabio Della Sala","raw_affiliation_strings":["Center for Biomolecular Nanotechnologies @UNILE, Istituto Italiano di Tecnologia (IIT), Via Barsanti, 73010 Arnesano (LE), Italy","Institute for Microelectronics and Microsystems (CNR-IMM), Via Monteroni, Campus Unisalento, 73100 Lecce, Italy"],"raw_orcid":"https://orcid.org/0000-0003-0940-8830","affiliations":[{"raw_affiliation_string":"Center for Biomolecular Nanotechnologies @UNILE, Istituto Italiano di Tecnologia (IIT), Via Barsanti, 73010 Arnesano (LE), Italy","institution_ids":["https://openalex.org/I4210143067","https://openalex.org/I30771326"]},{"raw_affiliation_string":"Institute for Microelectronics and Microsystems (CNR-IMM), Via Monteroni, Campus Unisalento, 73100 Lecce, Italy","institution_ids":["https://openalex.org/I4210165120"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5028212281","display_name":"Eduardo Fabiano","orcid":"https://orcid.org/0000-0002-3990-669X"},"institutions":[{"id":"https://openalex.org/I30771326","display_name":"Italian Institute of Technology","ror":"https://ror.org/042t93s57","country_code":"IT","type":"facility","lineage":["https://openalex.org/I30771326"]},{"id":"https://openalex.org/I4210143067","display_name":"Center for Biomolecular Nanotechnologies","ror":"https://ror.org/05bykpb13","country_code":"IT","type":"facility","lineage":["https://openalex.org/I30771326","https://openalex.org/I4210143067"]},{"id":"https://openalex.org/I4210165120","display_name":"Institute for Microelectronics and Microsystems","ror":"https://ror.org/05vk2g845","country_code":"IT","type":"facility","lineage":["https://openalex.org/I4210155236","https://openalex.org/I4210165120"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Eduardo Fabiano","raw_affiliation_strings":["Center for Biomolecular Nanotechnologies @UNILE, Istituto Italiano di Tecnologia (IIT), Via Barsanti, 73010 Arnesano (LE), Italy","Institute for Microelectronics and Microsystems (CNR-IMM), Via Monteroni, Campus Unisalento, 73100 Lecce, Italy"],"raw_orcid":"https://orcid.org/0000-0002-3990-669X","affiliations":[{"raw_affiliation_string":"Center for Biomolecular Nanotechnologies @UNILE, Istituto Italiano di Tecnologia (IIT), Via Barsanti, 73010 Arnesano (LE), Italy","institution_ids":["https://openalex.org/I4210143067","https://openalex.org/I30771326"]},{"raw_affiliation_string":"Institute for Microelectronics and Microsystems (CNR-IMM), Via Monteroni, Campus Unisalento, 73100 Lecce, Italy","institution_ids":["https://openalex.org/I4210165120"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5023543793"],"corresponding_institution_ids":["https://openalex.org/I3019271933","https://openalex.org/I4210086947"],"apc_list":{"value":1400,"currency":"CHF","value_usd":1515},"apc_paid":{"value":1400,"currency":"CHF","value_usd":1515},"fwci":1.6989,"has_fulltext":false,"cited_by_count":18,"citation_normalized_percentile":{"value":0.85782891,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":99},"biblio":{"volume":"7","issue":"4","first_page":"65","last_page":"65"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9998999834060669,"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":0.9998999834060669,"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/T11965","display_name":"Quantum, superfluid, helium dynamics","score":0.9991000294685364,"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/T11809","display_name":"Advanced NMR Techniques and Applications","score":0.9986000061035156,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/kinetic-energy","display_name":"Kinetic energy","score":0.8092190027236938},{"id":"https://openalex.org/keywords/laplace-operator","display_name":"Laplace operator","score":0.7687214612960815},{"id":"https://openalex.org/keywords/renormalization","display_name":"Renormalization","score":0.6691927909851074},{"id":"https://openalex.org/keywords/context","display_name":"Context (archaeology)","score":0.6233727931976318},{"id":"https://openalex.org/keywords/divergence","display_name":"Divergence (linguistics)","score":0.5417512059211731},{"id":"https://openalex.org/keywords/embedding","display_name":"Embedding","score":0.5383397936820984},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.5200017094612122},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.478464812040329},{"id":"https://openalex.org/keywords/energy","display_name":"Energy (signal processing)","score":0.4160633683204651},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.3321974277496338},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.1512686014175415}],"concepts":[{"id":"https://openalex.org/C135889238","wikidata":"https://www.wikidata.org/wiki/Q46276","display_name":"Kinetic energy","level":2,"score":0.8092190027236938},{"id":"https://openalex.org/C165700671","wikidata":"https://www.wikidata.org/wiki/Q203484","display_name":"Laplace operator","level":2,"score":0.7687214612960815},{"id":"https://openalex.org/C166124518","wikidata":"https://www.wikidata.org/wiki/Q1047702","display_name":"Renormalization","level":2,"score":0.6691927909851074},{"id":"https://openalex.org/C2779343474","wikidata":"https://www.wikidata.org/wiki/Q3109175","display_name":"Context (archaeology)","level":2,"score":0.6233727931976318},{"id":"https://openalex.org/C207390915","wikidata":"https://www.wikidata.org/wiki/Q1230525","display_name":"Divergence (linguistics)","level":2,"score":0.5417512059211731},{"id":"https://openalex.org/C41608201","wikidata":"https://www.wikidata.org/wiki/Q980509","display_name":"Embedding","level":2,"score":0.5383397936820984},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.5200017094612122},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.478464812040329},{"id":"https://openalex.org/C186370098","wikidata":"https://www.wikidata.org/wiki/Q442787","display_name":"Energy (signal processing)","level":2,"score":0.4160633683204651},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.3321974277496338},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.1512686014175415},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.0},{"id":"https://openalex.org/C151730666","wikidata":"https://www.wikidata.org/wiki/Q7205","display_name":"Paleontology","level":1,"score":0.0},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","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/C41895202","wikidata":"https://www.wikidata.org/wiki/Q8162","display_name":"Linguistics","level":1,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.3390/computation7040065","is_oa":true,"landing_page_url":"https://doi.org/10.3390/computation7040065","pdf_url":"https://www.mdpi.com/2079-3197/7/4/65/pdf?version=1574473060","source":{"id":"https://openalex.org/S2738402919","display_name":"Computation","issn_l":"2079-3197","issn":["2079-3197"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computation","raw_type":"journal-article"},{"id":"pmh:oai:mdpi.com:/2079-3197/7/4/65/","is_oa":true,"landing_page_url":"http://dx.doi.org/10.3390/computation7040065","pdf_url":null,"source":{"id":"https://openalex.org/S4306400947","display_name":"MDPI (MDPI AG)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210097602","host_organization_name":"Multidisciplinary Digital Publishing Institute (Switzerland)","host_organization_lineage":["https://openalex.org/I4210097602"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Computation","raw_type":"Text"},{"id":"pmh:oai:zenodo.org:146174","is_oa":true,"landing_page_url":"https://www.openaccessrepository.it/record/146174","pdf_url":null,"source":{"id":"https://openalex.org/S4306402478","display_name":"INFM-OAR (INFN Catania)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210116497","host_organization_name":"Istituto Nazionale di Fisica Nucleare, Sezione di Catania","host_organization_lineage":["https://openalex.org/I4210116497"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"doi:10.3390/computation7040065","is_oa":true,"landing_page_url":"https://doi.org/10.3390/computation7040065","pdf_url":"https://www.mdpi.com/2079-3197/7/4/65/pdf?version=1574473060","source":{"id":"https://openalex.org/S2738402919","display_name":"Computation","issn_l":"2079-3197","issn":["2079-3197"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computation","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Affordable and clean energy","score":0.8899999856948853,"id":"https://metadata.un.org/sdg/7"}],"awards":[{"id":"https://openalex.org/G807000930","display_name":null,"funder_award_id":"2016/21/D/ST4/00903","funder_id":"https://openalex.org/F4320322511","funder_display_name":"Narodowe Centrum Nauki"}],"funders":[{"id":"https://openalex.org/F4320322511","display_name":"Narodowe Centrum Nauki","ror":"https://ror.org/03ha2q922"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":70,"referenced_works":["https://openalex.org/W575919779","https://openalex.org/W1489171350","https://openalex.org/W1537843484","https://openalex.org/W1624531027","https://openalex.org/W1690138441","https://openalex.org/W1782528578","https://openalex.org/W1823840186","https://openalex.org/W1964028860","https://openalex.org/W1964335135","https://openalex.org/W1966633283","https://openalex.org/W1968210381","https://openalex.org/W1970009216","https://openalex.org/W1970035075","https://openalex.org/W1972782299","https://openalex.org/W1976862279","https://openalex.org/W1978849007","https://openalex.org/W1981368803","https://openalex.org/W1983436447","https://openalex.org/W1987514218","https://openalex.org/W1988091937","https://openalex.org/W1989335167","https://openalex.org/W2003457171","https://openalex.org/W2003573731","https://openalex.org/W2005220728","https://openalex.org/W2015870167","https://openalex.org/W2018276631","https://openalex.org/W2020362958","https://openalex.org/W2029584402","https://openalex.org/W2033531291","https://openalex.org/W2037930032","https://openalex.org/W2042432049","https://openalex.org/W2057020354","https://openalex.org/W2077295152","https://openalex.org/W2079843014","https://openalex.org/W2079935930","https://openalex.org/W2084528937","https://openalex.org/W2084585237","https://openalex.org/W2088819993","https://openalex.org/W2114982976","https://openalex.org/W2118852629","https://openalex.org/W2122719506","https://openalex.org/W2146747898","https://openalex.org/W2150697053","https://openalex.org/W2160338282","https://openalex.org/W2224031763","https://openalex.org/W2227306493","https://openalex.org/W2246523982","https://openalex.org/W2317605420","https://openalex.org/W2320381313","https://openalex.org/W2325075984","https://openalex.org/W2399940957","https://openalex.org/W2411551923","https://openalex.org/W2468967148","https://openalex.org/W2509615666","https://openalex.org/W2546659249","https://openalex.org/W2587661679","https://openalex.org/W2600229859","https://openalex.org/W2748574070","https://openalex.org/W2765504158","https://openalex.org/W2790736812","https://openalex.org/W2804451518","https://openalex.org/W2883151771","https://openalex.org/W2940346397","https://openalex.org/W2962784850","https://openalex.org/W2963560911","https://openalex.org/W2980195034","https://openalex.org/W2998313242","https://openalex.org/W3103911267","https://openalex.org/W3104407093","https://openalex.org/W4252662444"],"related_works":["https://openalex.org/W4379466091","https://openalex.org/W2081900870","https://openalex.org/W1974744264","https://openalex.org/W1034423453","https://openalex.org/W2158574015","https://openalex.org/W2359412950","https://openalex.org/W2041310076","https://openalex.org/W1625786414","https://openalex.org/W3208095355","https://openalex.org/W2153909955"],"abstract_inverted_index":{"The":[0],"Laplacian":[1,29],"of":[2,15,59,66],"the":[3,8,13,44,48,57,75,81],"electronic":[4],"density":[5],"diverges":[6],"at":[7],"nuclear":[9],"cusp,":[10],"which":[11,32,42],"complicates":[12],"development":[14],"Laplacian-level":[16],"meta-GGA":[17],"(LLMGGA)":[18],"kinetic":[19,45,49],"energy":[20,46],"functionals":[21,55,72,79],"for":[22,62,80],"all-electron":[23],"calculations.":[24,83],"Here,":[25],"we":[26],"investigate":[27],"some":[28],"renormalization":[30],"methods,":[31],"avoid":[33],"this":[34],"divergence.":[35],"We":[36,51],"developed":[37],"two":[38],"different":[39],"LLMGGA":[40,78],"functionals,":[41],"improve":[43,73],"or":[47],"potential.":[50],"test":[52],"these":[53],"KE":[54],"in":[56],"context":[58],"Frozen-Density-Embedding":[60],"(FDE),":[61],"a":[63],"large":[64],"palette":[65],"non-covalently":[67],"interacting":[68],"molecular":[69],"systems.":[70],"These":[71],"over":[74],"present":[76],"state-of-the-art":[77],"FDE":[82]},"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":1},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":4},{"year":2020,"cited_by_count":5}],"updated_date":"2026-05-21T06:26:12.895304","created_date":"2025-10-10T00:00:00"}