{"id":"https://openalex.org/W2012159468","doi":"https://doi.org/10.1002/0471720895.ch1","title":"Ab Initio Quantum Simulation in Solid State Chemistry","display_name":"Ab Initio Quantum Simulation in Solid State Chemistry","publication_year":2005,"publication_date":"2005-01-27","ids":{"openalex":"https://openalex.org/W2012159468","doi":"https://doi.org/10.1002/0471720895.ch1","mag":"2012159468"},"language":"en","primary_location":{"id":"doi:10.1002/0471720895.ch1","doi":"https://doi.org/10.1002/0471720895.ch1","is_oa":false,"landing_page_url":"https://doi.org/10.1002/0471720895.ch1","pdf_url":null,"source":{"id":"https://openalex.org/S958085168","display_name":"Reviews in computational chemistry","issn_l":"1069-3599","issn":["1069-3599","1934-5372"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","jufo-1","norway-1"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Reviews in Computational Chemistry","raw_type":"other"},"volume":{"id":"https://openalex.org/W2489100286","display_name":"Reviews in Computational Chemistry"},"type":"book-chapter","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/A5027086608","display_name":"Roberto Dovesi","orcid":"https://orcid.org/0000-0002-9821-9128","observed_orcids":["https://orcid.org/0000-0002-9821-9128"]},"institutions":[{"id":"https://openalex.org/I55143463","display_name":"University of Turin","ror":"https://ror.org/048tbm396","country_code":"IT","type":"education","lineage":["https://openalex.org/I55143463"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Roberto Dovesi","raw_affiliation_strings":["Dipartimento di Chimica IFM, Universit\u0103 di Torino, Via Giuria 5, I-10125 Torino, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Chimica IFM, Universit\u0103 di Torino, Via Giuria 5, I-10125 Torino, Italy","institution_ids":["https://openalex.org/I55143463"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5031384734","display_name":"Bartolomeo Civalleri","orcid":"https://orcid.org/0000-0003-3198-3161","observed_orcids":["https://orcid.org/0000-0003-3198-3161"]},"institutions":[{"id":"https://openalex.org/I55143463","display_name":"University of Turin","ror":"https://ror.org/048tbm396","country_code":"IT","type":"education","lineage":["https://openalex.org/I55143463"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Bartolomeo Civalleri","raw_affiliation_strings":["Dipartimento di Chimica IFM, Universit\u0103 di Torino, Via Giuria 5, I-10125 Torino, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Chimica IFM, Universit\u0103 di Torino, Via Giuria 5, I-10125 Torino, Italy","institution_ids":["https://openalex.org/I55143463"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089659275","display_name":"Carla Roetti","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I55143463","display_name":"University of Turin","ror":"https://ror.org/048tbm396","country_code":"IT","type":"education","lineage":["https://openalex.org/I55143463"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Carla Roetti","raw_affiliation_strings":["Dipartimento di Chimica IFM, Universit\u0103 di Torino, Via Giuria 5, I-10125 Torino, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Chimica IFM, Universit\u0103 di Torino, Via Giuria 5, I-10125 Torino, Italy","institution_ids":["https://openalex.org/I55143463"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5111725478","display_name":"Victor R. Saunders","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I55143463","display_name":"University of Turin","ror":"https://ror.org/048tbm396","country_code":"IT","type":"education","lineage":["https://openalex.org/I55143463"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Victor R. Saunders","raw_affiliation_strings":["Dipartimento di Chimica IFM, Universit\u0103 di Torino, Via Giuria 5, I-10125 Torino, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Chimica IFM, Universit\u0103 di Torino, Via Giuria 5, I-10125 Torino, Italy","institution_ids":["https://openalex.org/I55143463"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5108614857","display_name":"Roberto Orlando","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I123338534","display_name":"Universit\u00e0 degli Studi del Piemonte Orientale \u201cAmedeo Avogadro\u201d","ror":"https://ror.org/04387x656","country_code":"IT","type":"education","lineage":["https://openalex.org/I123338534"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Roberto Orlando","raw_affiliation_strings":["Dipartimento di Scienze e Tecnologie Avanzate, Universit\u00e0 del Piemonte Orientale, Corso Borsalino 54, I-15100 Alessandria, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento di Scienze e Tecnologie Avanzate, Universit\u00e0 del Piemonte Orientale, Corso Borsalino 54, I-15100 Alessandria, Italy","institution_ids":["https://openalex.org/I123338534"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":43.3719,"has_fulltext":false,"cited_by_count":205,"citation_normalized_percentile":{"value":0.99634035,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":93,"max":100},"biblio":{"volume":null,"issue":null,"first_page":"1","last_page":"125"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9932000041007996,"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":0.9932000041007996,"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":0.0026000000070780516,"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"}},{"id":"https://openalex.org/T10037","display_name":"Physics of Superconductivity and Magnetism","score":0.0006000000284984708,"subfield":{"id":"https://openalex.org/subfields/3104","display_name":"Condensed Matter Physics"},"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/solid-state-chemistry","display_name":"solid-state chemistry","score":0.953000009059906},{"id":"https://openalex.org/keywords/electronic-structure","display_name":"electronic structure","score":0.527999997138977},{"id":"https://openalex.org/keywords/quantum-chemical-methods","display_name":"quantum chemical methods","score":0.4259999990463257}],"concepts":[{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.7157132029533386},{"id":"https://openalex.org/C22994065","wikidata":"https://www.wikidata.org/wiki/Q188403","display_name":"Quantum chemistry","level":4,"score":0.6377614736557007},{"id":"https://openalex.org/C107814960","wikidata":"https://www.wikidata.org/wiki/Q611957","display_name":"Solid-state","level":2,"score":0.5020706653594971},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4889020025730133},{"id":"https://openalex.org/C84114770","wikidata":"https://www.wikidata.org/wiki/Q46344","display_name":"Quantum","level":2,"score":0.44718703627586365},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.43403300642967224},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.402690052986145},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.37405019998550415},{"id":"https://openalex.org/C33332235","wikidata":"https://www.wikidata.org/wiki/Q18362","display_name":"Theoretical physics","level":1,"score":0.349708616733551},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.29272282123565674},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.25459057092666626},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.2540287375450134},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.17366668581962585},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.07226359844207764},{"id":"https://openalex.org/C93275456","wikidata":"https://www.wikidata.org/wiki/Q756449","display_name":"Supramolecular chemistry","level":3,"score":0.052556514739990234}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1002/0471720895.ch1","doi":"https://doi.org/10.1002/0471720895.ch1","is_oa":false,"landing_page_url":"https://doi.org/10.1002/0471720895.ch1","pdf_url":null,"source":{"id":"https://openalex.org/S958085168","display_name":"Reviews in computational chemistry","issn_l":"1069-3599","issn":["1069-3599","1934-5372"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","jufo-1","norway-1"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"book series"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Reviews in Computational Chemistry","raw_type":"other"},{"id":"pmh:oai:iris.unito.it:2318/12157","doi":null,"is_oa":false,"landing_page_url":"http://hdl.handle.net/2318/12157","pdf_url":null,"source":{"id":"https://openalex.org/S4306400637","display_name":"Institutional Research Information System University of Turin (University of Turin)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I55143463","host_organization_name":"University of Turin","host_organization_lineage":["https://openalex.org/I55143463"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/bookPart"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":174,"referenced_works":["https://openalex.org/W285749399","https://openalex.org/W560933868","https://openalex.org/W632576184","https://openalex.org/W1037763783","https://openalex.org/W1481428812","https://openalex.org/W1498734336","https://openalex.org/W1531048833","https://openalex.org/W1550186202","https://openalex.org/W1562954448","https://openalex.org/W1568256655","https://openalex.org/W1707907574","https://openalex.org/W1900088949","https://openalex.org/W1964104169","https://openalex.org/W1965173894","https://openalex.org/W1965609466","https://openalex.org/W1966750682","https://openalex.org/W1967333782","https://openalex.org/W1968348772","https://openalex.org/W1968606024","https://openalex.org/W1969330675","https://openalex.org/W1970607866","https://openalex.org/W1971648651","https://openalex.org/W1972063770","https://openalex.org/W1972197313","https://openalex.org/W1972735517","https://openalex.org/W1973333112","https://openalex.org/W1973523344","https://openalex.org/W1973877397","https://openalex.org/W1974482139","https://openalex.org/W1975515814","https://openalex.org/W1975654903","https://openalex.org/W1977221897","https://openalex.org/W1977584896","https://openalex.org/W1979257796","https://openalex.org/W1980412679","https://openalex.org/W1980438166","https://openalex.org/W1982478248","https://openalex.org/W1989636584","https://openalex.org/W1993420191","https://openalex.org/W1994616777","https://openalex.org/W1996124131","https://openalex.org/W1996792119","https://openalex.org/W1997173539","https://openalex.org/W1997345804","https://openalex.org/W1997682458","https://openalex.org/W1998134546","https://openalex.org/W1999591678","https://openalex.org/W2001676859","https://openalex.org/W2002781405","https://openalex.org/W2006964879","https://openalex.org/W2007729542","https://openalex.org/W2007805650","https://openalex.org/W2007953495","https://openalex.org/W2010552130","https://openalex.org/W2011851329","https://openalex.org/W2015562459","https://openalex.org/W2016680329","https://openalex.org/W2018189144","https://openalex.org/W2018647636","https://openalex.org/W2022762875","https://openalex.org/W2023209083","https://openalex.org/W2023271753","https://openalex.org/W2023531802","https://openalex.org/W2027642442","https://openalex.org/W2028160002","https://openalex.org/W2028455000","https://openalex.org/W2029503728","https://openalex.org/W2031231263","https://openalex.org/W2032107013","https://openalex.org/W2032451606","https://openalex.org/W2035093537","https://openalex.org/W2035223648","https://openalex.org/W2036551370","https://openalex.org/W2041103079","https://openalex.org/W2043541134","https://openalex.org/W2044047630","https://openalex.org/W2044433849","https://openalex.org/W2046001409","https://openalex.org/W2046009103","https://openalex.org/W2046193773","https://openalex.org/W2046201296","https://openalex.org/W2049635189","https://openalex.org/W2051309585","https://openalex.org/W2051498516","https://openalex.org/W2052409246","https://openalex.org/W2052637367","https://openalex.org/W2052961589","https://openalex.org/W2055002284","https://openalex.org/W2055772520","https://openalex.org/W2056143191","https://openalex.org/W2056537197","https://openalex.org/W2057371104","https://openalex.org/W2057663837","https://openalex.org/W2058398316","https://openalex.org/W2059387415","https://openalex.org/W2059853617","https://openalex.org/W2060267052","https://openalex.org/W2061684137","https://openalex.org/W2062711717","https://openalex.org/W2062931829","https://openalex.org/W2063075717","https://openalex.org/W2064807075","https://openalex.org/W2064856514","https://openalex.org/W2065979441","https://openalex.org/W2069242213","https://openalex.org/W2073078506","https://openalex.org/W2073312251","https://openalex.org/W2073622025","https://openalex.org/W2074351048","https://openalex.org/W2075599568","https://openalex.org/W2076304635","https://openalex.org/W2076858582","https://openalex.org/W2079303007","https://openalex.org/W2080249836","https://openalex.org/W2080964861","https://openalex.org/W2082347469","https://openalex.org/W2082621078","https://openalex.org/W2082918883","https://openalex.org/W2082973738","https://openalex.org/W2083993424","https://openalex.org/W2084680829","https://openalex.org/W2085129009","https://openalex.org/W2085491097","https://openalex.org/W2086149699","https://openalex.org/W2086310984","https://openalex.org/W2086957099","https://openalex.org/W2087496726","https://openalex.org/W2090838661","https://openalex.org/W2092527961","https://openalex.org/W2093379693","https://openalex.org/W2093481450","https://openalex.org/W2093779539","https://openalex.org/W2095828290","https://openalex.org/W2100503591","https://openalex.org/W2106896688","https://openalex.org/W2108980885","https://openalex.org/W2111470213","https://openalex.org/W2113489785","https://openalex.org/W2115878464","https://openalex.org/W2117531423","https://openalex.org/W2119465688","https://openalex.org/W2119795861","https://openalex.org/W2121431463","https://openalex.org/W2127378318","https://openalex.org/W2129006673","https://openalex.org/W2132905138","https://openalex.org/W2133481861","https://openalex.org/W2134344701","https://openalex.org/W2135747100","https://openalex.org/W2138424291","https://openalex.org/W2141704677","https://openalex.org/W2143981217","https://openalex.org/W2148941593","https://openalex.org/W2149233342","https://openalex.org/W2150345533","https://openalex.org/W2157081197","https://openalex.org/W2157786165","https://openalex.org/W2163680844","https://openalex.org/W2164805481","https://openalex.org/W2166244948","https://openalex.org/W2187159145","https://openalex.org/W2207322593","https://openalex.org/W2229776599","https://openalex.org/W2230728100","https://openalex.org/W2252778187","https://openalex.org/W2284118597","https://openalex.org/W2293497035","https://openalex.org/W2315843238","https://openalex.org/W2322910114","https://openalex.org/W2483144685","https://openalex.org/W2486023113","https://openalex.org/W2486384687","https://openalex.org/W2802660426","https://openalex.org/W2963755262"],"related_works":["https://openalex.org/W2759024167","https://openalex.org/W3011409285","https://openalex.org/W2915173864","https://openalex.org/W2495510358","https://openalex.org/W1988574580","https://openalex.org/W1498377335","https://openalex.org/W1984669609","https://openalex.org/W3148997282","https://openalex.org/W3023256912","https://openalex.org/W2075523919"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":7},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":12},{"year":2020,"cited_by_count":6},{"year":2019,"cited_by_count":10},{"year":2018,"cited_by_count":7},{"year":2017,"cited_by_count":6},{"year":2016,"cited_by_count":12},{"year":2015,"cited_by_count":9},{"year":2014,"cited_by_count":17},{"year":2013,"cited_by_count":22},{"year":2012,"cited_by_count":12}],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2016-06-24T00:00:00"}
