{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2018:CI5UMM52TMVPIJZCAHIVC364BV","short_pith_number":"pith:CI5UMM52","schema_version":"1.0","canonical_sha256":"123b4633ba9b2af4272201d1516fdc0d45271b41d5aa1b962303f6da104f6694","source":{"kind":"arxiv","id":"1812.02461","version":3},"attestation_state":"computed","paper":{"title":"Ground and excited energy levels can be extracted exactly from a single ensemble density-functional theory calculation","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Emmanuel Fromager, Killian Deur","submitted_at":"2018-12-06T11:16:31Z","abstract_excerpt":"Gross-Oliveira-Kohn density-functional theory (GOK-DFT) for ensembles is the DFT analog of state-averaged wavefunction-based (SA-WF) methods. In GOK-DFT, the state-averaged (so-called ensemble) exchange-correlation (xc) energy is described by a single functional of the density which, for a fixed density, depends on the weights assigned to each state in the ensemble. We show that, if a many-weight-dependent xc functional is employed, then it becomes possible to extract, in principle exactly, all individual energy levels from a single GOK-DFT calculation, exactly like in a SA-WF calculation. Mor"},"verification_status":{"content_addressed":true,"pith_receipt":true,"author_attested":false,"weak_author_claims":0,"strong_author_claims":0,"externally_anchored":false,"storage_verified":false,"citation_signatures":0,"replication_records":0,"graph_snapshot":true,"references_resolved":false,"formal_links_present":false},"canonical_record":{"source":{"id":"1812.02461","kind":"arxiv","version":3},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-12-06T11:16:31Z","cross_cats_sorted":[],"title_canon_sha256":"be044fafa04e876740c42ee5bea8e348acb01ff38de134d2b571857e06e4911a","abstract_canon_sha256":"fdbb1c3408636b1860f80504d0ddac4e80582ea22cb798d0a8a86b1f0cc6b9a8"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-17T23:51:58.751455Z","signature_b64":"xNd1b+AWTOIrH0HOPsFGCFyHJsl8/QLJZSitsXx82bDE8LMxHHG5CUAXsYUxoRHIBBP7gRJdUFASUDR4LnSaBQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"123b4633ba9b2af4272201d1516fdc0d45271b41d5aa1b962303f6da104f6694","last_reissued_at":"2026-05-17T23:51:58.750877Z","signature_status":"signed_v1","first_computed_at":"2026-05-17T23:51:58.750877Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Ground and excited energy levels can be extracted exactly from a single ensemble density-functional theory calculation","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Emmanuel Fromager, Killian Deur","submitted_at":"2018-12-06T11:16:31Z","abstract_excerpt":"Gross-Oliveira-Kohn density-functional theory (GOK-DFT) for ensembles is the DFT analog of state-averaged wavefunction-based (SA-WF) methods. In GOK-DFT, the state-averaged (so-called ensemble) exchange-correlation (xc) energy is described by a single functional of the density which, for a fixed density, depends on the weights assigned to each state in the ensemble. We show that, if a many-weight-dependent xc functional is employed, then it becomes possible to extract, in principle exactly, all individual energy levels from a single GOK-DFT calculation, exactly like in a SA-WF calculation. Mor"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1812.02461","kind":"arxiv","version":3},"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"},"aliases":[{"alias_kind":"arxiv","alias_value":"1812.02461","created_at":"2026-05-17T23:51:58.750959+00:00"},{"alias_kind":"arxiv_version","alias_value":"1812.02461v3","created_at":"2026-05-17T23:51:58.750959+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1812.02461","created_at":"2026-05-17T23:51:58.750959+00:00"},{"alias_kind":"pith_short_12","alias_value":"CI5UMM52TMVP","created_at":"2026-05-18T12:32:16.446611+00:00"},{"alias_kind":"pith_short_16","alias_value":"CI5UMM52TMVPIJZC","created_at":"2026-05-18T12:32:16.446611+00:00"},{"alias_kind":"pith_short_8","alias_value":"CI5UMM52","created_at":"2026-05-18T12:32:16.446611+00:00"}],"events":[],"event_summary":{},"paper_claims":[],"inbound_citations":{"count":0,"internal_anchor_count":0,"sample":[]},"formal_canon":{"evidence_count":0,"sample":[],"anchors":[]},"links":{"html":"https://pith.science/pith/CI5UMM52TMVPIJZCAHIVC364BV","json":"https://pith.science/pith/CI5UMM52TMVPIJZCAHIVC364BV.json","graph_json":"https://pith.science/api/pith-number/CI5UMM52TMVPIJZCAHIVC364BV/graph.json","events_json":"https://pith.science/api/pith-number/CI5UMM52TMVPIJZCAHIVC364BV/events.json","paper":"https://pith.science/paper/CI5UMM52"},"agent_actions":{"view_html":"https://pith.science/pith/CI5UMM52TMVPIJZCAHIVC364BV","download_json":"https://pith.science/pith/CI5UMM52TMVPIJZCAHIVC364BV.json","view_paper":"https://pith.science/paper/CI5UMM52","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=1812.02461&json=true","fetch_graph":"https://pith.science/api/pith-number/CI5UMM52TMVPIJZCAHIVC364BV/graph.json","fetch_events":"https://pith.science/api/pith-number/CI5UMM52TMVPIJZCAHIVC364BV/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/CI5UMM52TMVPIJZCAHIVC364BV/action/timestamp_anchor","attest_storage":"https://pith.science/pith/CI5UMM52TMVPIJZCAHIVC364BV/action/storage_attestation","attest_author":"https://pith.science/pith/CI5UMM52TMVPIJZCAHIVC364BV/action/author_attestation","sign_citation":"https://pith.science/pith/CI5UMM52TMVPIJZCAHIVC364BV/action/citation_signature","submit_replication":"https://pith.science/pith/CI5UMM52TMVPIJZCAHIVC364BV/action/replication_record"}},"created_at":"2026-05-17T23:51:58.750959+00:00","updated_at":"2026-05-17T23:51:58.750959+00:00"}