{"record":{"author":{"account_ref":null,"orcid":null},"builds_on":[],"content_schema":"pubphys.content.topic/1","content_sha256":"8c8ac968cfccd754cc4a2ee05ef30012311e747889d6bb19305e9907968b3053","created":"2026-10-03T07:17:50Z","files":[],"origin":{"assisted_by":[],"kind":"seed"},"parents":[],"salt":"88d3a9b203c94efa43bba8390fabbe1723048e7ae14349dd7026ca0c65bdc0ab","schema":"pubphys.record/2","site":"pubphys.com","target":null,"type":"topic"},"content":{"external_id":"chem.dft-functionals","field":"chem","n":"1","review_cite":"A. J. Cohen, P. Mori-Sanchez, W. Yang, Challenges for Density Functional Theory, Chemical Reviews, 2012","review_link":"https://doi.org/10.1021/cr200107z","review_verified":"true","summary":"Density functional theory computes molecules and materials from the electron density alone, but it relies on an approximate ingredient, the exchange-correlation functional, whose exact form is unknown. Its errors decide whether predictions of bond energies, band gaps and reaction barriers can be trusted.","title":"Exchange-correlation functionals in density functional theory","topic_ref":null,"why":"It is the most used method in chemistry and materials science, so its systematic failures propagate into most computational predictions."},"attested":{"attestation":{"batch":null,"client_id":null,"id_token_sha256":null,"kind":"platform"},"record_hash":"3c4f63964447b45aecf4c4997f101268b15cc64d8f6c4f7f7f8c32e958440823","schema":"pubphys.attested/1"},"envelope":{"attested_hash":"e21498b927a439c4190f4ba2d8a38394afd91d9a75e8b3b91bc728825f1f0515","platform_signature":{"key_id":"c6afc19b31429869751f06879c75cd64ea92654423d15b44be775bf1310a60da","sig":"e1DV_HdUHlhgcBUYkl0-688ct_elzycPgC6ACbVndaXsfhyZ-gSmyOluBDGKO6Ve6eJGVnZvQY8OXusOLDZZBA"},"schema":"pubphys.envelope/1"},"record_hash":"3c4f63964447b45aecf4c4997f101268b15cc64d8f6c4f7f7f8c32e958440823","leaf_index":106}