{"id":"https://openalex.org/W2060285698","doi":"https://doi.org/10.1103/physrevb.41.10447","title":"Theoretical study of the interaction of ionized transition metals (Cr,Mn,Fe,Co,Ni,Cu) with argon","display_name":"Theoretical study of the interaction of ionized transition metals (Cr,Mn,Fe,Co,Ni,Cu) with argon","publication_year":1990,"publication_date":"1990-05-15","ids":{"openalex":"https://openalex.org/W2060285698","doi":"https://doi.org/10.1103/physrevb.41.10447","mag":"2060285698","pmid":"https://pubmed.ncbi.nlm.nih.gov/9993450"},"language":"en","primary_location":{"id":"doi:10.1103/physrevb.41.10447","doi":"https://doi.org/10.1103/physrevb.41.10447","is_oa":false,"landing_page_url":"https://doi.org/10.1103/physrevb.41.10447","pdf_url":null,"source":{"id":"https://openalex.org/S4210174675","display_name":"Physical review. B, Condensed matter","issn_l":"0163-1829","issn":["0163-1829","1095-3795"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","ki-jl-2"],"host_organization":"https://openalex.org/P4310320261","host_organization_name":"American Physical Society","host_organization_lineage":["https://openalex.org/P4310320261"],"host_organization_lineage_names":["American Physical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Review B","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"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/A5110071872","display_name":"B. L. Hammond","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I148283060","display_name":"Lawrence Berkeley National Laboratory","ror":"https://ror.org/02jbv0t02","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I148283060","https://openalex.org/I39565521"]},{"id":"https://openalex.org/I95457486","display_name":"University of California, Berkeley","ror":"https://ror.org/01an7q238","country_code":"US","type":"education","lineage":["https://openalex.org/I95457486"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"B. L. Hammond","raw_affiliation_strings":["Department of Chemistry, University of California, Berkeley, Berkeley, California 94720","Materials and Chemical Sciences Division, Lawrence Berkeley Laboratory, 1 Cyclotron Road, Berkeley, California 94720"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of California, Berkeley, Berkeley, California 94720","institution_ids":["https://openalex.org/I95457486"]},{"raw_affiliation_string":"Materials and Chemical Sciences Division, Lawrence Berkeley Laboratory, 1 Cyclotron Road, Berkeley, California 94720","institution_ids":["https://openalex.org/I148283060"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103483505","display_name":"William A. Lester","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I148283060","display_name":"Lawrence Berkeley National Laboratory","ror":"https://ror.org/02jbv0t02","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I148283060","https://openalex.org/I39565521"]},{"id":"https://openalex.org/I95457486","display_name":"University of California, Berkeley","ror":"https://ror.org/01an7q238","country_code":"US","type":"education","lineage":["https://openalex.org/I95457486"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"W. A. Lester","raw_affiliation_strings":["Department of Chemistry, University of California, Berkeley, Berkeley, California 94720","Materials and Chemical Sciences Division, Lawrence Berkeley Laboratory, 1 Cyclotron Road, Berkeley, California 94720"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of California, Berkeley, Berkeley, California 94720","institution_ids":["https://openalex.org/I95457486"]},{"raw_affiliation_string":"Materials and Chemical Sciences Division, Lawrence Berkeley Laboratory, 1 Cyclotron Road, Berkeley, California 94720","institution_ids":["https://openalex.org/I148283060"]}]},{"author_position":"middle","author":{"id":null,"display_name":"M. Braga","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I66862912","display_name":"Chalmers University of Technology","ror":"https://ror.org/040wg7k59","country_code":"SE","type":"education","lineage":["https://openalex.org/I66862912"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"M. Braga","raw_affiliation_strings":["Department of Physical Chemistry, Chalmers Institute of Technology, S-412 96 Gothenburg, Sweden"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physical Chemistry, Chalmers Institute of Technology, S-412 96 Gothenburg, Sweden","institution_ids":["https://openalex.org/I66862912"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5018780060","display_name":"Carlton Anthony Taft","orcid":"https://orcid.org/0000-0002-6247-029X","observed_orcids":["https://orcid.org/0000-0002-6247-029X"]},"institutions":[{"id":"https://openalex.org/I4210125245","display_name":"Centro Brasileiro de Pesquisas F\u00edsicas","ror":"https://ror.org/02wnmk332","country_code":"BR","type":"facility","lineage":["https://openalex.org/I4210125245","https://openalex.org/I4210151455"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"C. A. Taft","raw_affiliation_strings":["Centro Brasileiro de Pesquisas F\u00edsicas, rua Dr. Xavier Siguad 150, 22 290 Rio de Janeiro, Rio de Janeiro, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centro Brasileiro de Pesquisas F\u00edsicas, rua Dr. Xavier Siguad 150, 22 290 Rio de Janeiro, Rio de Janeiro, Brazil","institution_ids":["https://openalex.org/I4210125245"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":4,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.4861,"has_fulltext":false,"cited_by_count":20,"citation_normalized_percentile":{"value":0.60259499,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":95},"biblio":{"volume":"41","issue":"15","first_page":"10447","last_page":"10452"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.7139000296592712,"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":0.7139000296592712,"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":0.271699994802475,"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/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.003599999938160181,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"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/binding-energy","display_name":"binding energy","score":0.6430000066757202},{"id":"https://openalex.org/keywords/charge-induced-dipole-interaction","display_name":"charge-induced dipole interaction","score":0.8360000252723694},{"id":"https://openalex.org/keywords/electron-correlation","display_name":"electron correlation","score":0.6790000200271606},{"id":"https://openalex.org/keywords/configuration-interaction","display_name":"configuration interaction","score":0.6869999766349792}],"concepts":[{"id":"https://openalex.org/C93282013","wikidata":"https://www.wikidata.org/wiki/Q420754","display_name":"Binding energy","level":2,"score":0.7526228427886963},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.6951280832290649},{"id":"https://openalex.org/C111806078","wikidata":"https://www.wikidata.org/wiki/Q1751859","display_name":"Diatomic molecule","level":3,"score":0.6394661068916321},{"id":"https://openalex.org/C106773901","wikidata":"https://www.wikidata.org/wiki/Q19588","display_name":"Transition metal","level":3,"score":0.5924227237701416},{"id":"https://openalex.org/C547737533","wikidata":"https://www.wikidata.org/wiki/Q696","display_name":"Argon","level":2,"score":0.5890396237373352},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.5693584084510803},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.5629966855049133},{"id":"https://openalex.org/C198291218","wikidata":"https://www.wikidata.org/wiki/Q190382","display_name":"Ionization","level":3,"score":0.5400356650352478},{"id":"https://openalex.org/C147192597","wikidata":"https://www.wikidata.org/wiki/Q483769","display_name":"Ionization energy","level":4,"score":0.529721200466156},{"id":"https://openalex.org/C173523689","wikidata":"https://www.wikidata.org/wiki/Q215589","display_name":"Dipole","level":2,"score":0.4886487126350403},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.48294419050216675},{"id":"https://openalex.org/C183971685","wikidata":"https://www.wikidata.org/wiki/Q547605","display_name":"Ab initio quantum chemistry methods","level":3,"score":0.47019514441490173},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.44960999488830566},{"id":"https://openalex.org/C544153396","wikidata":"https://www.wikidata.org/wiki/Q11426","display_name":"Metal","level":2,"score":0.43931788206100464},{"id":"https://openalex.org/C188082385","wikidata":"https://www.wikidata.org/wiki/Q73792","display_name":"Charge (physics)","level":2,"score":0.42880839109420776},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.27579015493392944},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.22592639923095703},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.12412461638450623},{"id":"https://openalex.org/C185544564","wikidata":"https://www.wikidata.org/wiki/Q81197","display_name":"Nuclear physics","level":1,"score":0.060984283685684204},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C191897082","wikidata":"https://www.wikidata.org/wiki/Q11467","display_name":"Metallurgy","level":1,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","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:10.1103/physrevb.41.10447","doi":"https://doi.org/10.1103/physrevb.41.10447","is_oa":false,"landing_page_url":"https://doi.org/10.1103/physrevb.41.10447","pdf_url":null,"source":{"id":"https://openalex.org/S4210174675","display_name":"Physical review. B, Condensed matter","issn_l":"0163-1829","issn":["0163-1829","1095-3795"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","ki-jl-2"],"host_organization":"https://openalex.org/P4310320261","host_organization_name":"American Physical Society","host_organization_lineage":["https://openalex.org/P4310320261"],"host_organization_lineage_names":["American Physical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical Review B","raw_type":"journal-article"},{"id":"pmid:9993450","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/9993450","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Physical review. B, Condensed matter","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":24,"referenced_works":["https://openalex.org/W1500992477","https://openalex.org/W1964602687","https://openalex.org/W1970148666","https://openalex.org/W1976348540","https://openalex.org/W1979297697","https://openalex.org/W1981168967","https://openalex.org/W1996297530","https://openalex.org/W1996607145","https://openalex.org/W2017650411","https://openalex.org/W2020689139","https://openalex.org/W2020693079","https://openalex.org/W2021122764","https://openalex.org/W2030619017","https://openalex.org/W2043198492","https://openalex.org/W2044768276","https://openalex.org/W2048893918","https://openalex.org/W2062894354","https://openalex.org/W2067892788","https://openalex.org/W2068235487","https://openalex.org/W2069805975","https://openalex.org/W2095463339","https://openalex.org/W2113965470","https://openalex.org/W2148941593","https://openalex.org/W4301949812"],"related_works":["https://openalex.org/W1649762464","https://openalex.org/W2017650411","https://openalex.org/W2077683264","https://openalex.org/W2091728902","https://openalex.org/W3092767915","https://openalex.org/W2051106160","https://openalex.org/W1981168967","https://openalex.org/W2053603758","https://openalex.org/W2070541631","https://openalex.org/W2366400724"],"abstract_inverted_index":{"Ab":[0],"initio":[1],"Hartree-Fock":[2],"effective-core-potential":[3],"calculations":[4],"have":[5],"been":[6],"performed":[7],"to":[8],"determine":[9],"the":[10,14,32,35,42,48,55,59,66,73,79],"binding-energy":[11],"trends":[12],"of":[13,58,65,78],"transition-metal--argon":[15],"diatomic":[16],"positive":[17],"ions.":[18],"The":[19,76],"interaction":[20],"in":[21,82],"these":[22,83],"systems":[23,84],"is":[24,38,51,69,85],"mainly":[25],"governed":[26],"by":[27],"charge-induced":[28],"dipole":[29],"forces,":[30],"with":[31],"metal":[33],"carrying":[34],"charge.":[36],"It":[37],"found":[39],"that":[40,47],"all":[41],"species":[43],"are":[44],"bound":[45],"and":[46],"binding":[49,67],"energy":[50,68],"strongly":[52],"dependent":[53],"on":[54],"electronic":[56],"state":[57],"transition-metal":[60],"ion.":[61],"A":[62],"configuration-interaction":[63],"prediction":[64],"also":[70],"presented":[71],"for":[72],"${\\mathrm{Cu}}^{+}$Ar":[74],"system.":[75],"importance":[77],"electron":[80],"correlation":[81],"discussed.":[86]},"counts_by_year":[{"year":2023,"cited_by_count":2},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2016-06-24T00:00:00"}
