{"paper":{"title":"DFT+U+V is equivalent to DFT+U with density-dependent hybridized projectors","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["cond-mat.str-el","physics.chem-ph","physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Alberto Carta, Edward Linscott, Nicola Marzari","submitted_at":"2026-07-20T15:38:06Z","abstract_excerpt":"Hubbard-corrected density-functional theory (DFT+$U$) is a popular tool for first-principles modeling of materials with localized $d$ or $f$ electrons, but its on-site corrections tend to over-localize charge and break covalent bonds. Inter-site $+V$ corrections were introduced to counter this and are now widely used, but a formal justification has been lacking. Here we show that -- to first order in $V/U$ -- inter-site corrections are exactly equivalent to on-site DFT+$U$ evaluated on a density-dependent redefinition of the Hubbard projectors, hybridized with those of neighboring sites, provi"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2607.18071","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2607.18071/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}