{"id":"https://openalex.org/W2050757646","doi":"https://doi.org/10.1063/1.1576210","title":"Accurate dipole polarizabilities of small silicon clusters from ab initio and density functional theory calculations","display_name":"Accurate dipole polarizabilities of small silicon clusters from ab initio and density functional theory calculations","publication_year":2003,"publication_date":"2003-06-30","ids":{"openalex":"https://openalex.org/W2050757646","doi":"https://doi.org/10.1063/1.1576210","mag":"2050757646"},"language":"en","primary_location":{"id":"doi:10.1063/1.1576210","doi":"https://doi.org/10.1063/1.1576210","is_oa":false,"landing_page_url":"https://doi.org/10.1063/1.1576210","pdf_url":null,"source":{"id":"https://openalex.org/S77047749","display_name":"The Journal of Chemical Physics","issn_l":"0021-9606","issn":["0021-9606","1089-7690","1520-9032"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320257","host_organization_name":"American Institute of Physics","host_organization_lineage":["https://openalex.org/P4310320257"],"host_organization_lineage_names":["American Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Chemical Physics","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"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/A5076584684","display_name":"George Maroulis","orcid":"https://orcid.org/0000-0001-8545-1158","observed_orcids":["https://orcid.org/0000-0001-8545-1158"]},"institutions":[{"id":"https://openalex.org/I144889574","display_name":"Universit\u00e9 de Pau et des Pays de l'Adour","ror":"https://ror.org/01frn9647","country_code":"FR","type":"education","lineage":["https://openalex.org/I144889574"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"George Maroulis","raw_affiliation_strings":["Laboratorie de Chimie Structurale, UMR 5624 Universit\u00e9 de Pau et des Pays de l\u2019Adour, F-64000 Pau, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratorie de Chimie Structurale, UMR 5624 Universit\u00e9 de Pau et des Pays de l\u2019Adour, F-64000 Pau, France","institution_ids":["https://openalex.org/I144889574"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5008530433","display_name":"Didier B\u00e9gu\u00e9","orcid":"https://orcid.org/0000-0002-4553-0166","observed_orcids":["https://orcid.org/0000-0002-4553-0166"]},"institutions":[{"id":"https://openalex.org/I144889574","display_name":"Universit\u00e9 de Pau et des Pays de l'Adour","ror":"https://ror.org/01frn9647","country_code":"FR","type":"education","lineage":["https://openalex.org/I144889574"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Didier Begu\u00e9","raw_affiliation_strings":["Laboratorie de Chimie Structurale, UMR 5624 Universit\u00e9 de Pau et des Pays de l\u2019Adour, F-64000 Pau, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratorie de Chimie Structurale, UMR 5624 Universit\u00e9 de Pau et des Pays de l\u2019Adour, F-64000 Pau, France","institution_ids":["https://openalex.org/I144889574"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5087630132","display_name":"Claude Pouchan","orcid":"https://orcid.org/0000-0003-3841-4922","observed_orcids":["https://orcid.org/0000-0003-3841-4922"]},"institutions":[{"id":"https://openalex.org/I144889574","display_name":"Universit\u00e9 de Pau et des Pays de l'Adour","ror":"https://ror.org/01frn9647","country_code":"FR","type":"education","lineage":["https://openalex.org/I144889574"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Claude Pouchan","raw_affiliation_strings":["Laboratorie de Chimie Structurale, UMR 5624 Universit\u00e9 de Pau et des Pays de l\u2019Adour, F-64000 Pau, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratorie de Chimie Structurale, UMR 5624 Universit\u00e9 de Pau et des Pays de l\u2019Adour, F-64000 Pau, France","institution_ids":["https://openalex.org/I144889574"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I144889574"],"apc_list":{"value":3500,"currency":"USD","value_usd":3500},"apc_paid":null,"fwci":2.1465,"has_fulltext":false,"cited_by_count":98,"citation_normalized_percentile":{"value":0.86850212,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":87,"max":100},"biblio":{"volume":"119","issue":"2","first_page":"794","last_page":"797"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9976000189781189,"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":0.9976000189781189,"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/T11025","display_name":"Nonlinear Optical Materials Research","score":0.0005000000237487257,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10523","display_name":"Atomic and Molecular Physics","score":0.0003000000142492354,"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/silicon-clusters","display_name":"silicon clusters","score":0.925000011920929},{"id":"https://openalex.org/keywords/static-dipole-polarizability","display_name":"static dipole polarizability","score":0.9010000228881836},{"id":"https://openalex.org/keywords/electron-correlation","display_name":"electron correlation","score":0.8180000185966492}],"concepts":[{"id":"https://openalex.org/C139287275","wikidata":"https://www.wikidata.org/wiki/Q869891","display_name":"Polarizability","level":3,"score":0.933495283126831},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.7623142004013062},{"id":"https://openalex.org/C173523689","wikidata":"https://www.wikidata.org/wiki/Q215589","display_name":"Dipole","level":2,"score":0.6494587659835815},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.645125150680542},{"id":"https://openalex.org/C58312451","wikidata":"https://www.wikidata.org/wiki/Q4817200","display_name":"Atom (system on chip)","level":2,"score":0.560785710811615},{"id":"https://openalex.org/C183971685","wikidata":"https://www.wikidata.org/wiki/Q547605","display_name":"Ab initio quantum chemistry methods","level":3,"score":0.47693580389022827},{"id":"https://openalex.org/C65956243","wikidata":"https://www.wikidata.org/wiki/Q2664086","display_name":"Basis set","level":3,"score":0.4618932008743286},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.45675453543663025},{"id":"https://openalex.org/C544956773","wikidata":"https://www.wikidata.org/wiki/Q670","display_name":"Silicon","level":2,"score":0.4396277666091919},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.42350995540618896},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.40481463074684143},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.37906184792518616},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2794724702835083},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.1131124198436737},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.05217894911766052},{"id":"https://openalex.org/C149635348","wikidata":"https://www.wikidata.org/wiki/Q193040","display_name":"Embedded system","level":1,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1063/1.1576210","doi":"https://doi.org/10.1063/1.1576210","is_oa":false,"landing_page_url":"https://doi.org/10.1063/1.1576210","pdf_url":null,"source":{"id":"https://openalex.org/S77047749","display_name":"The Journal of Chemical Physics","issn_l":"0021-9606","issn":["0021-9606","1089-7690","1520-9032"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320257","host_organization_name":"American Institute of Physics","host_organization_lineage":["https://openalex.org/P4310320257"],"host_organization_lineage_names":["American Institute of Physics"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"The Journal of Chemical Physics","raw_type":"journal-article"},{"id":"pmh:oai:HAL:hal-01598753v1","doi":null,"is_oa":false,"landing_page_url":"https://hal.science/hal-01598753","pdf_url":null,"source":{"id":"https://openalex.org/S4306402512","display_name":"HAL","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4405252976","host_organization_name":"Centre pour la Communication Scientifique Directe","host_organization_lineage":["https://openalex.org/I4405252976"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"The Journal of Chemical Physics, 2003, 119 (2), pp.794-797. ⟨10.1063/1.1576210⟩","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":38,"referenced_works":["https://openalex.org/W2962401","https://openalex.org/W261977513","https://openalex.org/W1273467106","https://openalex.org/W1495478173","https://openalex.org/W1501145371","https://openalex.org/W1584242904","https://openalex.org/W1645422644","https://openalex.org/W1720713552","https://openalex.org/W1974171629","https://openalex.org/W1978491555","https://openalex.org/W1996199937","https://openalex.org/W2006079418","https://openalex.org/W2016306829","https://openalex.org/W2017419510","https://openalex.org/W2021189248","https://openalex.org/W2023887991","https://openalex.org/W2030605632","https://openalex.org/W2038052269","https://openalex.org/W2054624821","https://openalex.org/W2064087531","https://openalex.org/W2069050102","https://openalex.org/W2072359027","https://openalex.org/W2079373725","https://openalex.org/W2079473982","https://openalex.org/W2080241212","https://openalex.org/W2082404721","https://openalex.org/W2085608980","https://openalex.org/W2089772806","https://openalex.org/W2090634772","https://openalex.org/W2119567488","https://openalex.org/W2139270475","https://openalex.org/W2153456846","https://openalex.org/W2177252302","https://openalex.org/W2321594388","https://openalex.org/W2322215049","https://openalex.org/W3023201423","https://openalex.org/W3027381188","https://openalex.org/W4285719527"],"related_works":["https://openalex.org/W2017419510","https://openalex.org/W1974171629","https://openalex.org/W2118913464","https://openalex.org/W2060137602","https://openalex.org/W1970693722","https://openalex.org/W2563607504","https://openalex.org/W3207572202","https://openalex.org/W1995315081","https://openalex.org/W2965639159","https://openalex.org/W2046111092"],"abstract_inverted_index":{"We":[0],"report":[1],"conventional":[2],"ab":[3,103],"initio":[4,104],"and":[5,50,57,89,105],"density":[6,74,106],"functional":[7,75,107],"theory":[8,53,76,108],"calculations":[9,109],"for":[10,15,69,85,125],"the":[11,16,27,39,91,115,126],"static":[12],"dipole":[13],"polarizability":[14,42,94,116],"small":[17,68,118],"silicon":[18,119],"clusters":[19],"Si3":[20],"to":[21,66,81,131],"Si7.":[22],"Our":[23],"effort":[24],"relies":[25],"on":[26,46],"design":[28],"of":[29,33,38,52,61,114,117,128],"flexible":[30],"basis":[31,47],"sets":[32],"Gaussian-type":[34],"functions.":[35],"The":[36,59,73],"dependence":[37],"calculated":[40],"mean":[41,93],"per":[43,95],"atom":[44],"(\u1fb1/n)":[45],"set":[48],"type":[49],"level":[51],"is":[54,64],"brought":[55],"forth":[56],"discussed.":[58],"effect":[60],"electron":[62],"correlation":[63],"found":[65],"be":[67],"all":[70],"studied":[71],"clusters.":[72,120],"based":[77],"methods":[78],"are":[79,123],"seen":[80],"predict":[82],"reliable":[83],"values":[84],"(\u1fb1/n).":[86],"By":[87],"introducing":[88],"analyzing":[90],"differential":[92],"atom,":[96],"\u1fb1diff/n=\u1fb1(Sin)/n\u2212\u1fb1(Si),":[97],"we":[98],"show":[99],"that":[100],"in":[101],"fact":[102],"yield":[110],"distinctly":[111],"different":[112],"pictures":[113],"Computational":[121],"strategies":[122],"proposed":[124],"extension":[127],"theoretical":[129],"studies":[130],"larger":[132],"structures.":[133]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":2},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":5},{"year":2018,"cited_by_count":4},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":2},{"year":2015,"cited_by_count":4},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":4},{"year":2012,"cited_by_count":14}],"updated_date":"2026-11-10T11:39:43.021295","created_date":"2016-06-24T00:00:00"}