{"paper":{"title":"Exchange parameters of strongly correlated materials: extraction from spin-polarised density functional theory plus dynamical mean field theory","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.str-el","authors_text":"A.I. Lichtenstein, I. Di Marco, M.I. Katsnelson, O. Eriksson, O. Gr{\\aa}n\\\"as, Y.O. Kvashnin","submitted_at":"2015-03-10T11:10:44Z","abstract_excerpt":"In this paper we present an accurate numerical scheme for extracting inter-atomic exchange parameters ($J_{ij}$) of strongly correlated systems, based on first-principles full-potential electronic structure theory. The electronic structure is modelled with the help of a full-potential linear muffin-tin orbital method. The effects of strong electron correlations are considered within the charge self-consistent density functional theory plus dynamical mean-field theory (DFT+DMFT). The exchange parameters are then extracted using the magnetic force theorem, hence all the calculations are performe"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1503.02864","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":""},"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"}