{"id":"https://openalex.org/W2807005772","doi":"https://doi.org/10.48550/arxiv.1806.01383","title":"Towards a systematically improvable many-body description of antiferromagnetic iron oxide","display_name":"Towards a systematically improvable many-body description of antiferromagnetic iron oxide","publication_year":2018,"publication_date":"2018-06-04","ids":{"openalex":"https://openalex.org/W2807005772","doi":"https://doi.org/10.48550/arxiv.1806.01383","mag":"2807005772"},"language":"en","primary_location":{"id":"pmh:oai:arXiv.org:1806.01383","doi":null,"is_oa":true,"landing_page_url":"http://arxiv.org/abs/1806.01383","pdf_url":"https://arxiv.org/pdf/1806.01383","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"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":"text"},"volume":null,"type":"preprint","is_traditional":true,"indexed_in":["arxiv","datacite"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://arxiv.org/pdf/1806.01383","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5017067605","display_name":"Joshua Townsend","orcid":"https://orcid.org/0000-0002-1137-3924","observed_orcids":["https://orcid.org/0000-0002-1137-3924"]},"institutions":[{"id":"https://openalex.org/I4210104735","display_name":"Sandia National Laboratories","ror":"https://ror.org/01apwpt12","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I198811213","https://openalex.org/I4210104735"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Townsend, Joshua P","raw_affiliation_strings":["High Energy Density Physics Theory , Sandia National Laboratories , Albuquerque , NM 87185"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"High Energy Density Physics Theory , Sandia National Laboratories , Albuquerque , NM 87185","institution_ids":["https://openalex.org/I4210104735"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007701909","display_name":"Raymond C. Clay","orcid":"https://orcid.org/0000-0003-4016-5363","observed_orcids":["https://orcid.org/0000-0003-4016-5363"]},"institutions":[{"id":"https://openalex.org/I4210104735","display_name":"Sandia National Laboratories","ror":"https://ror.org/01apwpt12","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I198811213","https://openalex.org/I4210104735"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Clay, Raymond C","raw_affiliation_strings":["High Energy Density Physics Theory , Sandia National Laboratories , Albuquerque , NM 87185"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"High Energy Density Physics Theory , Sandia National Laboratories , Albuquerque , NM 87185","institution_ids":["https://openalex.org/I4210104735"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5113488730","display_name":"Thomas R. Mattsson","orcid":"https://orcid.org/0000-0002-1904-0825","observed_orcids":["https://orcid.org/0000-0002-1904-0825"]},"institutions":[{"id":"https://openalex.org/I4210104735","display_name":"Sandia National Laboratories","ror":"https://ror.org/01apwpt12","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I198811213","https://openalex.org/I4210104735"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Mattsson, Thomas R","raw_affiliation_strings":["High Energy Density Physics Theory , Sandia National Laboratories , Albuquerque , NM 87185"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"High Energy Density Physics Theory , Sandia National Laboratories , Albuquerque , NM 87185","institution_ids":["https://openalex.org/I4210104735"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5006578267","display_name":"Eric Neuscamman","orcid":"https://orcid.org/0000-0002-4760-8238","observed_orcids":["https://orcid.org/0000-0002-4760-8238"]},"institutions":[{"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":"Neuscamman, Eric","raw_affiliation_strings":["Department of Chemistry , University of California , Berkeley , CA , 94720"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry , University of California , Berkeley , CA , 94720","institution_ids":["https://openalex.org/I95457486"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053672172","display_name":"Luning Zhao","orcid":"https://orcid.org/0000-0002-8989-3751","observed_orcids":["https://orcid.org/0000-0002-8989-3751"]},"institutions":[{"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":"Zhao, Luning","raw_affiliation_strings":["Department of Chemistry , University of California , Berkeley , CA , 94720"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry , University of California , Berkeley , CA , 94720","institution_ids":["https://openalex.org/I95457486"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5109080033","display_name":"Ken Esler","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210134299","display_name":"Stone Ridge Technology (United States)","ror":"https://ror.org/048maqj86","country_code":"US","type":"company","lineage":["https://openalex.org/I4210134299"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Esler, Ken","raw_affiliation_strings":["Stone Ridge Technology , Bel Air , MD 21015"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Stone Ridge Technology , Bel Air , MD 21015","institution_ids":["https://openalex.org/I4210134299"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5031752279","display_name":"R. E. Cohen","orcid":"https://orcid.org/0000-0001-5871-2359","observed_orcids":["https://orcid.org/0000-0001-5871-2359"]},"institutions":[{"id":"https://openalex.org/I196817621","display_name":"Carnegie Institution for Science","ror":"https://ror.org/04jr01610","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I196817621"]},{"id":"https://openalex.org/I4210150103","display_name":"Geophysical Laboratory","ror":"https://ror.org/05qyye271","country_code":"US","type":"facility","lineage":["https://openalex.org/I196817621","https://openalex.org/I4210150103","https://openalex.org/I4387155102"]},{"id":"https://openalex.org/I8204097","display_name":"Ludwig-Maximilians-Universit\u00e4t M\u00fcnchen","ror":"https://ror.org/05591te55","country_code":"DE","type":"education","lineage":["https://openalex.org/I8204097"]}],"countries":["DE","US"],"is_corresponding":false,"raw_author_name":"Cohen, Ronald E","raw_affiliation_strings":["Department of Earth and Environmental Sciences , LMU Munich , 80333 Munich , Germany","Extreme Materials Initiative , Geophysical Laboratory , Carnegie Institution for Science , Washington , DC 20015-1305 , USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Earth and Environmental Sciences , LMU Munich , 80333 Munich , Germany","institution_ids":["https://openalex.org/I8204097"]},{"raw_affiliation_string":"Extreme Materials Initiative , Geophysical Laboratory , Carnegie Institution for Science , Washington , DC 20015-1305 , USA","institution_ids":["https://openalex.org/I196817621","https://openalex.org/I4210150103"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5007233585","display_name":"Luke Shulenburger","orcid":"https://orcid.org/0000-0002-7165-084X","observed_orcids":["https://orcid.org/0000-0002-7165-084X"]},"institutions":[{"id":"https://openalex.org/I4210104735","display_name":"Sandia National Laboratories","ror":"https://ror.org/01apwpt12","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I198811213","https://openalex.org/I4210104735"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Shulenburger, Luke","raw_affiliation_strings":["High Energy Density Physics Theory , Sandia National Laboratories , Albuquerque , NM 87185"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"High Energy Density Physics Theory , Sandia National Laboratories , Albuquerque , NM 87185","institution_ids":["https://openalex.org/I4210104735"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":6,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":true,"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":0.47189998626708984,"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":0.47189998626708984,"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":0.413100004196167,"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":0.04600000008940697,"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/feo","display_name":"FeO","score":0.949999988079071},{"id":"https://openalex.org/keywords/lattice-distortion","display_name":"lattice distortion","score":0.8619999885559082},{"id":"https://openalex.org/keywords/magnetic-moment","display_name":"magnetic moment","score":0.9319999814033508},{"id":"https://openalex.org/keywords/spin-density","display_name":"spin density","score":0.8920000195503235},{"id":"https://openalex.org/keywords/charge-transfer","display_name":"charge transfer","score":0.6779999732971191},{"id":"https://openalex.org/keywords/many-body-wave-functions","display_name":"many-body wave functions","score":0.8389999866485596}],"concepts":[{"id":"https://openalex.org/C113603373","wikidata":"https://www.wikidata.org/wiki/Q2362761","display_name":"Wave function","level":2,"score":0.7512586116790771},{"id":"https://openalex.org/C16016025","wikidata":"https://www.wikidata.org/wiki/Q3861408","display_name":"Quantum Monte Carlo","level":3,"score":0.6363338828086853},{"id":"https://openalex.org/C69523127","wikidata":"https://www.wikidata.org/wiki/Q4480008","display_name":"Ground state","level":2,"score":0.5169705748558044},{"id":"https://openalex.org/C155355069","wikidata":"https://www.wikidata.org/wiki/Q575224","display_name":"Antiferromagnetism","level":2,"score":0.5084933042526245},{"id":"https://openalex.org/C189394030","wikidata":"https://www.wikidata.org/wiki/Q53860","display_name":"Atomic orbital","level":3,"score":0.46952003240585327},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.4474315345287323},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.3447859287261963},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.311387836933136},{"id":"https://openalex.org/C19499675","wikidata":"https://www.wikidata.org/wiki/Q232207","display_name":"Monte Carlo method","level":2,"score":0.22617584466934204},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.19336119294166565},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.0},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"pmh:oai:arXiv.org:1806.01383","doi":null,"is_oa":true,"landing_page_url":"http://arxiv.org/abs/1806.01383","pdf_url":"https://arxiv.org/pdf/1806.01383","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"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":"text"},{"id":"doi:10.48550/arxiv.1806.01383","doi":"https://doi.org/10.48550/arxiv.1806.01383","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.1806.01383","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Preprint"}],"best_oa_location":{"id":"pmh:oai:arXiv.org:1806.01383","doi":null,"is_oa":true,"landing_page_url":"http://arxiv.org/abs/1806.01383","pdf_url":"https://arxiv.org/pdf/1806.01383","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"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":"text"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G1511200792","display_name":"Theoretical Investigations of Mantle and Core Materials","funder_award_id":"0738061","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G1621372292","display_name":"Collaborative Research:  CMG: Quantum Monte Carlo Calculations of Deep Earth Materials","funder_award_id":"0530282","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"},{"id":"https://openalex.org/F4320308765","display_name":"Carnegie Institution of Washington","ror":"https://ror.org/04jr01610"},{"id":"https://openalex.org/F4320332359","display_name":"Office of Science","ror":"https://ror.org/00mmn6b08"},{"id":"https://openalex.org/F4320332369","display_name":"National Nuclear Security Administration","ror":"https://ror.org/03sk1we31"},{"id":"https://openalex.org/F4320337480","display_name":"Basic Energy Sciences","ror":"https://ror.org/05mg91w61"},{"id":"https://openalex.org/F4320338291","display_name":"Sandia National Laboratories","ror":"https://ror.org/01apwpt12"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2807005772.pdf","grobid_xml":"https://content.openalex.org/works/W2807005772.grobid-xml"},"referenced_works_count":1,"referenced_works":["https://openalex.org/W2953269330"],"related_works":["https://openalex.org/W3097023328","https://openalex.org/W2161550044","https://openalex.org/W1644849379","https://openalex.org/W2035865547","https://openalex.org/W2084966942","https://openalex.org/W2905253792","https://openalex.org/W2056143191","https://openalex.org/W2076363210","https://openalex.org/W1991030943","https://openalex.org/W1485256755"],"abstract_inverted_index":{"We":[0,60],"report":[1],"variational":[2],"and":[3,57,152],"fixed-node":[4],"diffusion":[5],"quantum":[6],"Monte":[7],"Carlo":[8],"(QMC)":[9],"calculations":[10],"of":[11,25,32,35,43,73,104,110,122,136],"anti-ferromagnetic":[12],"iron":[13],"oxide":[14],"(FeO)":[15],"in":[16,116],"the":[17,33,63,71,80,94,102,123,148],"ground":[18,37],"state":[19,38],"B1":[20],"crystal":[21],"structure.":[22],"The":[23],"goal":[24],"this":[26],"study":[27],"was":[28,67,98],"a":[29,41],"systematic":[30],"investigation":[31],"sensitivity":[34],"several":[36],"properties":[39],"to":[40,78,101,118,138],"variety":[42],"QMC":[44,108,143],"wave":[45,51,81,87,105,156],"function":[46,88,106],"generation":[47],"techniques":[48,90],"including":[49],"advanced":[50,151],"functions":[52,157],"such":[53],"as":[54],"multi-determinant":[55],"expansions":[56],"backflow":[58],"transformations.":[59],"found":[61],"that":[62,115],"predicted":[64],"lattice":[65],"distortion":[66],"largely":[68],"controlled":[69],"by":[70,85],"choice":[72],"single":[74],"particle":[75],"orbitals":[76],"used":[77],"construct":[79],"function,":[82],"rather":[83],"than":[84],"subsequent":[86],"optimization":[89],"within":[91,141],"QMC.":[92],"However,":[93],"absolute":[95],"magnetic":[96],"moment":[97],"remarkably":[99],"insensitive":[100],"method":[103],"construction.":[107],"estimates":[109],"total":[111],"spin":[112],"density":[113],"indicate":[114],"addition":[117],"strong":[119],"electronic":[120],"correlation":[121],"Fe":[124],"$3d$":[125],"states,":[126],"charge":[127],"transfer":[128],"may":[129],"be":[130],"an":[131],"important":[132],"but":[133],"challenging":[134,162],"piece":[135],"physics":[137],"accurately":[139,160],"capture":[140],"existing":[142],"methods.":[144],"Finally,":[145],"we":[146],"highlight":[147],"need":[149],"for":[150,159],"systematically":[153],"improvable":[154],"many-body":[155],"suitable":[158],"describing":[161],"real":[163],"systems.":[164]},"counts_by_year":[],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2018-06-13T00:00:00"}