{"id":"https://openalex.org/W2280242787","doi":null,"title":"Development and applications of density matrix functional theory of generalized Hubbard Models","display_name":"Development and applications of density matrix functional theory of generalized Hubbard Models","publication_year":2012,"publication_date":"2012-01-25","ids":{"openalex":"https://openalex.org/W2280242787","mag":"2280242787"},"language":"en","primary_location":{"id":"pmh:oai:oai.bibliothek.uni-kassel.de:123456789/2012012540416","doi":null,"is_oa":false,"landing_page_url":"http://nbn-resolving.org/urn:nbn:de:hebis:34-2012012540416","pdf_url":null,"source":{"id":"https://openalex.org/S4306400093","display_name":"Kobra (Universit\u00e4tsbibliothek Kassel)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I106157433","host_organization_name":"University of Kassel","host_organization_lineage":["https://openalex.org/I106157433"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"doc-type:DoctoralThesis"},"volume":null,"type":"dissertation","indexed_in":[],"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/A5105982661","display_name":"Matthieu Sauban\u00e8re","orcid":"https://orcid.org/0000-0002-9900-6175","observed_orcids":["https://orcid.org/0000-0002-9900-6175"]},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Matthieu Sauban\u00e8re","raw_affiliation_strings":[],"raw_orcid":"https://orcid.org/0000-0002-9900-6175","affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":["https://openalex.org/A5105982661"],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10037","display_name":"Physics of Superconductivity and Magnetism","score":0.6714000105857849,"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"}},"topics":[{"id":"https://openalex.org/T10037","display_name":"Physics of Superconductivity and Magnetism","score":0.6714000105857849,"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"}},{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.25119999051094055,"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/T11804","display_name":"Quantum many-body systems","score":0.055799998342990875,"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/lattice-density-functional-theory","display_name":"lattice density functional theory","score":0.781000018119812},{"id":"https://openalex.org/keywords/density-matrix-functional-theory","display_name":"density matrix functional theory","score":0.7300000190734863},{"id":"https://openalex.org/keywords/generalized-hubbard-model","display_name":"generalized Hubbard model","score":0.7639999985694885},{"id":"https://openalex.org/keywords/correlation-energy-functional","display_name":"correlation energy functional","score":0.8629999756813049},{"id":"https://openalex.org/keywords/strongly-correlated-electron-systems","display_name":"strongly correlated electrons","score":0.8270000219345093},{"id":"https://openalex.org/keywords/hubbard-dimer","display_name":"Hubbard dimer","score":0.7519999742507935},{"id":"https://openalex.org/keywords/scaling-hypothesis","display_name":"scaling hypothesis","score":0.7070000171661377},{"id":"https://openalex.org/keywords/charge-transfer","display_name":"charge transfer","score":0.7580000162124634},{"id":"https://openalex.org/keywords/bipartite-lattices","display_name":"bipartite lattices","score":0.9309999942779541},{"id":"https://openalex.org/keywords/metal-insulator-transition","display_name":"metal-insulator transition","score":0.8989999890327454},{"id":"https://openalex.org/keywords/ionic-hubbard-model","display_name":"ionic Hubbard model","score":0.9900000095367432},{"id":"https://openalex.org/keywords/hubbard-chain","display_name":"Hubbard chain","score":0.7160000205039978},{"id":"https://openalex.org/keywords/symmetry-breaking","display_name":"symmetry breaking","score":0.4690000116825104}],"concepts":[{"id":"https://openalex.org/C106074065","wikidata":"https://www.wikidata.org/wiki/Q1571298","display_name":"Hubbard model","level":3,"score":0.840997576713562},{"id":"https://openalex.org/C99844830","wikidata":"https://www.wikidata.org/wiki/Q102441924","display_name":"Scaling","level":2,"score":0.6153135895729065},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.6002695560455322},{"id":"https://openalex.org/C130787639","wikidata":"https://www.wikidata.org/wiki/Q5645293","display_name":"Hamiltonian (control theory)","level":2,"score":0.5788395404815674},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.5572752952575684},{"id":"https://openalex.org/C56911000","wikidata":"https://www.wikidata.org/wiki/Q831774","display_name":"Density matrix","level":3,"score":0.5173901319503784},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.5046542882919312},{"id":"https://openalex.org/C69523127","wikidata":"https://www.wikidata.org/wiki/Q4480008","display_name":"Ground state","level":2,"score":0.500941276550293},{"id":"https://openalex.org/C2781204021","wikidata":"https://www.wikidata.org/wiki/Q6497091","display_name":"Lattice (music)","level":2,"score":0.47033247351646423},{"id":"https://openalex.org/C22693506","wikidata":"https://www.wikidata.org/wiki/Q3075290","display_name":"Hybrid functional","level":3,"score":0.4557057321071625},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.43100452423095703},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.3077581226825714},{"id":"https://openalex.org/C84114770","wikidata":"https://www.wikidata.org/wiki/Q46344","display_name":"Quantum","level":2,"score":0.18549275398254395},{"id":"https://openalex.org/C54101563","wikidata":"https://www.wikidata.org/wiki/Q124131","display_name":"Superconductivity","level":2,"score":0.11964145302772522},{"id":"https://openalex.org/C126255220","wikidata":"https://www.wikidata.org/wiki/Q141495","display_name":"Mathematical optimization","level":1,"score":0.08230525255203247},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.0},{"id":"https://openalex.org/C24890656","wikidata":"https://www.wikidata.org/wiki/Q82811","display_name":"Acoustics","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"pmh:oai:oai.bibliothek.uni-kassel.de:123456789/2012012540416","doi":null,"is_oa":false,"landing_page_url":"http://nbn-resolving.org/urn:nbn:de:hebis:34-2012012540416","pdf_url":null,"source":{"id":"https://openalex.org/S4306400093","display_name":"Kobra (Universit\u00e4tsbibliothek Kassel)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I106157433","host_organization_name":"University of Kassel","host_organization_lineage":["https://openalex.org/I106157433"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"doc-type:DoctoralThesis"},{"id":"mag:2280242787","doi":null,"is_oa":false,"landing_page_url":"https://kobra.bibliothek.uni-kassel.de/bitstream/urn:nbn:de:hebis:34-2012012540416/3/DissertationSaubanere.pdf","pdf_url":null,"source":null,"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":10,"referenced_works":["https://openalex.org/W1523142422","https://openalex.org/W1550061415","https://openalex.org/W1806543486","https://openalex.org/W1972584495","https://openalex.org/W1994581252","https://openalex.org/W2059586807","https://openalex.org/W2100944415","https://openalex.org/W2131665769","https://openalex.org/W2500355128","https://openalex.org/W3153767838"],"related_works":["https://openalex.org/W1972584495","https://openalex.org/W2061693229","https://openalex.org/W2373836734","https://openalex.org/W2095238083","https://openalex.org/W2281516842","https://openalex.org/W2141896108","https://openalex.org/W1986712266","https://openalex.org/W2990741728","https://openalex.org/W2073425908","https://openalex.org/W2330443238"],"abstract_inverted_index":{"In":[0,25,159,406],"this":[1,113,117,149,248,253,278],"Thesis,":[2],"we":[3,167,185,210,280,311,339],"develop":[4,340],"and":[5,88,139,156,232,236,241,333,376,395,417,441],"apply":[6],"an":[7,126,140,354,364,448],"accurate":[8,103],"method":[9,427],"to":[10,153,161,173,179,191,222,234,257,259,270,300,359,378,381,400],"determine":[11],"the":[12,19,30,34,44,56,61,75,89,109,132,145,163,187,201,207,217,223,264,271,313,317,327,348,372,412,421,426,431,437,455],"ground-state":[13],"properties":[14,214],"of":[15,21,112,116,128,165,200,203,247,266,344,353,414,425,454],"strongly-correlated":[16],"electrons":[17],"in":[18,177,316,321,420],"framework":[20],"lattice":[22,26],"model":[23,225,320,433],"Hamiltonians.":[24],"density-functional":[27],"theory":[28,456],"(LDFT)":[29],"basic":[31],"variable":[32],"is":[33,52,85,98,119,151,229,250,255,291,393,428,457],"one-particle":[35],"density":[36,373],"matrix":[37,374],"\u03b3.":[38,65],"From":[39],"a":[40,197,274,341,360,397],"generalized":[41],"HK":[42],"theorem,":[43],"ground":[45],"state":[46],"energy":[47,67],"Egs[\u03b3gs]":[48],"=":[49],"min\u03b3":[50],"E[\u03b3]":[51,58],"obtained":[53],"by":[54,363,434],"minimizing":[55],"energy-functional":[57],"over":[59],"all":[60],"physical":[62],"or":[63,303,450],"representable":[64],"The":[66,244,391,423],"functional":[68,77,91,190,249,290],"can":[69,297],"be":[70,298],"divided":[71],"into":[72,410],"two":[73],"contributions:":[74],"kinetic-energy":[76],"T":[78],"[\u03b3],":[79,93,346],"which":[80,94,124,384],"linear":[81],"dependence":[82,95,202],"on":[83,96,121,136,206,226,285,347,350,371],"\u03b3":[84,97,375],"exactly":[86],"known,":[87],"correlation-energy":[90],"W":[92,106,129,175,204,267,345,382],"not":[99],"explicitly":[100],"known.":[101],"Finding":[102],"approximations":[104],"for":[105,131,144,216,430],"[\u03b3]":[107,130,176,205,268,383],"constitutes":[108],"actual":[110],"challenge":[111],"thesis.":[114],"Part":[115],"work":[118],"based":[120,135,284],"previous":[122,188],"studies":[123],"derive":[125,174,281,379],"approximation":[127,283,380],"Hubbard":[133,146,224,319,329,432],"Hamiltonian":[134,305,357,369],"scaling":[137,189,213,287],"hypothesis":[138],"exact":[141,351],"analytical":[142],"results":[143],"dimer.":[147],"However,":[148],"approach":[150,254,343],"limited":[152],"spin":[154,418],"independent":[155],"homogeneous":[157,218],"systems.":[158],"order":[160,178],"extend":[162,186],"scope":[164],"LDFT,":[166],"have":[168],"developed":[169],"three":[170],"different":[171],"approaches":[172],"study":[180,199,312],"broken":[181],"symmetry":[182],"problems.":[183],"First":[184],"system":[192,272],"having":[193],"charge":[194,208,416],"transfer.":[195],"By":[196],"systematic":[198],"distribution":[209],"find":[211],"similar":[212],"as":[215,273,324,326],"case.":[219],"An":[220],"extension":[221],"bipartite":[227],"lattices":[228],"then":[230],"derived":[231],"applied":[233,299],"finite":[235],"infinite":[237],"systems":[238,403],"with":[239,306,331,387,436],"repulsive":[240],"attractive":[242],"interactions.":[243],"high":[245],"accuracy":[246,424],"demonstrated.":[251],"Nevertheless,":[252],"difficult":[256],"transfer":[258],"more":[260],"complex":[261],"systems,":[262],"since":[263],"calculation":[265],"applies":[269],"whole.":[275],"To":[276],"overcome":[277],"problem,":[279],"another":[282],"local":[286],"properties.":[288],"This":[289,367],"formulated":[292],"on-site":[293,307],"so":[294],"that":[295],"it":[296,408],"any":[301],"ordered":[302],"disordered":[304],"interaction.":[308],"As":[309],"applications":[310],"metal-insulator":[314],"transition":[315],"ionic":[318],"oneand":[322],"two-dimensions,":[323],"well":[325],"one-dimensional":[328],"chain":[330],"first":[332],"second":[334],"nearest":[335],"neighbor":[336],"hoppings.":[337],"Finally,":[338,447],"numerical":[342],"basis":[349],"diagonalizations":[352],"effective":[355,365,368],"many-body":[356],"corresponding":[358],"cluster":[361,389],"surrounded":[362],"medium.":[366],"depends":[370],"allows":[377,396],"improve":[385],"systematically":[386],"increasing":[388],"size.":[390],"formulation":[392],"spin-dependent":[394],"straightforward":[398],"generalization":[399],"multi-orbital":[401],"correlated":[402],"such":[404],"spd-Hamiltonians.":[405],"addition":[407],"take":[409],"account":[411],"effects":[413],"short-range":[415],"fluctuations":[419],"functional.":[422],"demonstrated":[429],"comparison":[435],"Bethe-Ansatz":[438],"solution":[439],"(1D)":[440],"quantum":[442],"Monte":[443],"Carlo":[444],"simulations":[445],"(2D).":[446],"outlook":[449],"relevant":[451],"future":[452],"developments":[453],"provided.":[458]},"counts_by_year":[],"updated_date":"2026-08-27T14:10:00.468798","created_date":"2016-06-24T00:00:00"}