{"id":"https://openalex.org/W2131164497","doi":"https://doi.org/10.1002/jcc.20975","title":"Periodic local MP2 method for the study of electronic correlation in crystals: Theory and preliminary applications","display_name":"Periodic local MP2 method for the study of electronic correlation in crystals: Theory and preliminary applications","publication_year":2008,"publication_date":"2008-05-12","ids":{"openalex":"https://openalex.org/W2131164497","doi":"https://doi.org/10.1002/jcc.20975","mag":"2131164497","pmid":"https://pubmed.ncbi.nlm.nih.gov/18473323"},"language":"en","primary_location":{"is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.20975","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_indexed_in_scopus":true,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false},"type":"article","type_crossref":"journal-article","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/A5082144599","display_name":"C. Pisani","orcid":null},"institutions":[{"id":"https://openalex.org/I55143463","display_name":"University of Turin","ror":"https://ror.org/048tbm396","country_code":"IT","type":"funder","lineage":["https://openalex.org/I55143463"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Cesare Pisani","raw_affiliation_strings":["Dipartimento di Chimica IFM, and Centre of Excellence NIS (Nanostructured Interfaces and Surfaces), Universit\u00e1 di Torino, via Giuria 5, I\u201010125 Torino, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Chimica IFM, and Centre of Excellence NIS (Nanostructured Interfaces and Surfaces), Universit\u00e1 di Torino, via Giuria 5, I\u201010125 Torino, Italy","institution_ids":["https://openalex.org/I55143463"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5070233064","display_name":"Lorenzo Maschio","orcid":"https://orcid.org/0000-0002-4657-9439"},"institutions":[{"id":"https://openalex.org/I55143463","display_name":"University of Turin","ror":"https://ror.org/048tbm396","country_code":"IT","type":"funder","lineage":["https://openalex.org/I55143463"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Lorenzo Maschio","raw_affiliation_strings":["Dipartimento di Chimica IFM, and Centre of Excellence NIS (Nanostructured Interfaces and Surfaces), Universit\u00e1 di Torino, via Giuria 5, I\u201010125 Torino, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Chimica IFM, and Centre of Excellence NIS (Nanostructured Interfaces and Surfaces), Universit\u00e1 di Torino, via Giuria 5, I\u201010125 Torino, Italy","institution_ids":["https://openalex.org/I55143463"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5008061976","display_name":"Silvia Casassa","orcid":"https://orcid.org/0000-0003-0217-4920"},"institutions":[{"id":"https://openalex.org/I55143463","display_name":"University of Turin","ror":"https://ror.org/048tbm396","country_code":"IT","type":"funder","lineage":["https://openalex.org/I55143463"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Silvia Casassa","raw_affiliation_strings":["Dipartimento di Chimica IFM, and Centre of Excellence NIS (Nanostructured Interfaces and Surfaces), Universit\u00e1 di Torino, via Giuria 5, I\u201010125 Torino, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Chimica IFM, and Centre of Excellence NIS (Nanostructured Interfaces and Surfaces), Universit\u00e1 di Torino, via Giuria 5, I\u201010125 Torino, Italy","institution_ids":["https://openalex.org/I55143463"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5072268323","display_name":"Migen Halo","orcid":null},"institutions":[{"id":"https://openalex.org/I55143463","display_name":"University of Turin","ror":"https://ror.org/048tbm396","country_code":"IT","type":"funder","lineage":["https://openalex.org/I55143463"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Migen Halo","raw_affiliation_strings":["Dipartimento di Chimica IFM, and Centre of Excellence NIS (Nanostructured Interfaces and Surfaces), Universit\u00e1 di Torino, via Giuria 5, I\u201010125 Torino, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Chimica IFM, and Centre of Excellence NIS (Nanostructured Interfaces and Surfaces), Universit\u00e1 di Torino, via Giuria 5, I\u201010125 Torino, Italy","institution_ids":["https://openalex.org/I55143463"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5046466492","display_name":"Martin Sch\u00fctz","orcid":"https://orcid.org/0000-0002-2688-3214"},"institutions":[{"id":"https://openalex.org/I60668342","display_name":"University of Regensburg","ror":"https://ror.org/01eezs655","country_code":"DE","type":"funder","lineage":["https://openalex.org/I60668342"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Martin Sch\u00fctz","raw_affiliation_strings":["Institute for Physical and Theoretical Chemistry, Universit\u00e4t Regensburg, Universit\u00e4tsstrasse 31, D-93040 Regensburg, Germany."],"affiliations":[{"raw_affiliation_string":"Institute for Physical and Theoretical Chemistry, Universit\u00e4t Regensburg, Universit\u00e4tsstrasse 31, D-93040 Regensburg, Germany.","institution_ids":["https://openalex.org/I60668342"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5050742136","display_name":"Denis Usvyat","orcid":"https://orcid.org/0000-0001-6351-9289"},"institutions":[{"id":"https://openalex.org/I60668342","display_name":"University of Regensburg","ror":"https://ror.org/01eezs655","country_code":"DE","type":"funder","lineage":["https://openalex.org/I60668342"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Denis Usvyat","raw_affiliation_strings":["Institute for Physical and Theoretical Chemistry, Universit\u00e4t Regensburg, Universit\u00e4tsstrasse 31, D-93040 Regensburg, Germany."],"affiliations":[{"raw_affiliation_string":"Institute for Physical and Theoretical Chemistry, Universit\u00e4t Regensburg, Universit\u00e4tsstrasse 31, D-93040 Regensburg, Germany.","institution_ids":["https://openalex.org/I60668342"]}]}],"institution_assertions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":13.421,"has_fulltext":true,"fulltext_origin":"ngrams","cited_by_count":226,"citation_normalized_percentile":{"value":0.999951,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":99},"biblio":{"volume":"29","issue":"13","first_page":"2113","last_page":"2124"},"is_retracted":false,"is_paratext":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9999,"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":0.9999,"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/T12646","display_name":"Inorganic Fluorides and Related Compounds","score":0.9984,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11878","display_name":"Solid-state spectroscopy and crystallography","score":0.9972,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/robustness","display_name":"Robustness","score":0.5797708},{"id":"https://openalex.org/keywords/crystal","display_name":"Crystal (programming language)","score":0.42296892}],"concepts":[{"id":"https://openalex.org/C63479239","wikidata":"https://www.wikidata.org/wiki/Q7353546","display_name":"Robustness (evolution)","level":3,"score":0.5797708},{"id":"https://openalex.org/C102519508","wikidata":"https://www.wikidata.org/wiki/Q6520159","display_name":"Fourier transform","level":2,"score":0.5390612},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.49973726},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.4450643},{"id":"https://openalex.org/C2781285689","wikidata":"https://www.wikidata.org/wiki/Q21921428","display_name":"Crystal (programming language)","level":2,"score":0.42296892},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.35329854},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3481232},{"id":"https://openalex.org/C30475298","wikidata":"https://www.wikidata.org/wiki/Q909554","display_name":"Computational physics","level":1,"score":0.3392876},{"id":"https://openalex.org/C28826006","wikidata":"https://www.wikidata.org/wiki/Q33521","display_name":"Applied mathematics","level":1,"score":0.33588758},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.31227252},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.2835644},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.26706624},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"is_oa":false,"landing_page_url":"https://doi.org/10.1002/jcc.20975","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_indexed_in_scopus":true,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false},{"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/18473323","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_indexed_in_scopus":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":["National Institutes of Health"],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.43,"id":"https://metadata.un.org/sdg/7","display_name":"Affordable and clean energy"}],"grants":[],"datasets":[],"versions":[],"referenced_works_count":84,"referenced_works":["https://openalex.org/W1588589081","https://openalex.org/W1964577547","https://openalex.org/W1970296319","https://openalex.org/W1970607866","https://openalex.org/W1971256744","https://openalex.org/W1971275758","https://openalex.org/W1973333112","https://openalex.org/W1975180250","https://openalex.org/W1976373708","https://openalex.org/W1976616787","https://openalex.org/W1977221897","https://openalex.org/W1979206729","https://openalex.org/W1980939102","https://openalex.org/W1981368803","https://openalex.org/W1982680362","https://openalex.org/W1986595308","https://openalex.org/W1986902574","https://openalex.org/W1991185492","https://openalex.org/W1993077801","https://openalex.org/W1993135278","https://openalex.org/W1993420191","https://openalex.org/W1995624711","https://openalex.org/W1995696119","https://openalex.org/W1996118837","https://openalex.org/W1998102366","https://openalex.org/W1998124515","https://openalex.org/W2004155919","https://openalex.org/W2009842088","https://openalex.org/W2014015984","https://openalex.org/W2018515027","https://openalex.org/W2018822344","https://openalex.org/W2020332746","https://openalex.org/W2023170532","https://openalex.org/W2023821279","https://openalex.org/W2024382652","https://openalex.org/W2024847319","https://openalex.org/W2029885941","https://openalex.org/W2031009436","https://openalex.org/W2031653903","https://openalex.org/W2035849586","https://openalex.org/W2040134477","https://openalex.org/W2041332599","https://openalex.org/W2046009103","https://openalex.org/W2047828365","https://openalex.org/W2049079467","https://openalex.org/W2055230539","https://openalex.org/W2057239102","https://openalex.org/W2057370117","https://openalex.org/W2059476722","https://openalex.org/W2060485420","https://openalex.org/W2061684137","https://openalex.org/W2061733741","https://openalex.org/W2063270842","https://openalex.org/W2064798852","https://openalex.org/W2068393942","https://openalex.org/W2069242213","https://openalex.org/W2069677337","https://openalex.org/W2072677970","https://openalex.org/W2073612718","https://openalex.org/W2074454177","https://openalex.org/W2075275303","https://openalex.org/W2076117487","https://openalex.org/W2080942482","https://openalex.org/W2082037815","https://openalex.org/W2085491097","https://openalex.org/W2086918003","https://openalex.org/W2087873641","https://openalex.org/W2089781687","https://openalex.org/W2090432916","https://openalex.org/W2090765455","https://openalex.org/W2092604068","https://openalex.org/W2092950368","https://openalex.org/W2093887036","https://openalex.org/W2095347148","https://openalex.org/W2108559438","https://openalex.org/W2109834956","https://openalex.org/W2118899464","https://openalex.org/W2119547517","https://openalex.org/W2143981217","https://openalex.org/W2148941593","https://openalex.org/W2949493985","https://openalex.org/W3006675774","https://openalex.org/W3015519317","https://openalex.org/W4285719527"],"related_works":["https://openalex.org/W4377096619","https://openalex.org/W4313125593","https://openalex.org/W4224009303","https://openalex.org/W4200292747","https://openalex.org/W2899084033","https://openalex.org/W2806503643","https://openalex.org/W2748952813","https://openalex.org/W2400046518","https://openalex.org/W2082602913","https://openalex.org/W2021850870"],"abstract_inverted_index":{"A":[0],"computational":[1],"technique":[2],"for":[3,8,38,134],"solving":[4],"the":[5,18,28,39,42,48,57,88,110,119,130,141],"MP2":[6],"equations":[7],"periodic":[9,94,131],"systems":[10,95,136],"using":[11,144],"a":[12,34],"local-correlation":[13],"approach":[14],"and":[15,47,81,118],"implemented":[16],"in":[17,75,115],"CRYSCOR":[19,76],"code":[20,44],"is":[21,31,96],"presented.":[22],"The":[23,36,126],"Hartree-Fock":[24],"solution":[25],"provided":[26],"by":[27],"CRYSTAL":[29],"program":[30],"used":[32],"as":[33],"reference.":[35],"motivations":[37],"implementation":[40],"of":[41,87,105,121],"new":[43,70],"are":[45,51,107],"discussed,":[46],"techniques":[49],"adopted":[50],"briefly":[52],"recalled.":[53],"With":[54],"respect":[55],"to":[56,77,92],"original":[58],"formulation":[59],"(Pisani":[60],"et":[61],"al.,":[62],"J":[63],"Chem":[64],"Phys":[65],"2005,":[66],"122,":[67],"094113),":[68],"many":[69],"features":[71],"have":[72],"been":[73],"introduced":[74],"improve":[78],"its":[79],"efficiency":[80],"robustness.":[82],"In":[83],"particular,":[84],"an":[85],"adaptation":[86],"density":[89,145],"fitting":[90],"scheme":[91],"translationally":[93],"described,":[97],"based":[98],"on":[99,123],"Fourier":[100],"transformation":[101],"techniques.":[102],"Three":[103],"examples":[104],"application":[106],"provided,":[108],"concerning":[109],"CO(2)":[111],"crystal,":[112],"proton":[113],"transfer":[114],"ice":[116],"XI,":[117],"adsorption":[120],"methane":[122],"MgO":[124],"(001).":[125],"results":[127],"obtained":[128,143],"with":[129],"LMP2":[132],"method":[133],"these":[135],"appear":[137],"more":[138],"reliable":[139],"than":[140],"ones":[142],"functional":[146],"theory.":[147]},"abstract_inverted_index_v3":null,"cited_by_api_url":"https://api.openalex.org/works?filter=cites:W2131164497","counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":7},{"year":2022,"cited_by_count":6},{"year":2021,"cited_by_count":8},{"year":2020,"cited_by_count":15},{"year":2019,"cited_by_count":10},{"year":2018,"cited_by_count":11},{"year":2017,"cited_by_count":7},{"year":2016,"cited_by_count":17},{"year":2015,"cited_by_count":12},{"year":2014,"cited_by_count":14},{"year":2013,"cited_by_count":11},{"year":2012,"cited_by_count":24}],"updated_date":"2025-03-28T03:36:46.232734","created_date":"2016-06-24"}