{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2016:OMQ6BSI6SJEMKMYZ6FKQPL4JW6","merge_version":"pith-open-graph-merge-v1","event_count":2,"valid_event_count":2,"invalid_event_count":0,"equivocation_count":0,"current":{"canonical_record":{"metadata":{"abstract_canon_sha256":"9828447ff4f3935d597bc0094675e38882b76453d6b1386752490119fe2c338f","cross_cats_sorted":["cond-mat.str-el"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-04-13T17:09:19Z","title_canon_sha256":"2f60f495d0c737fe6859e1c598e40f127e4eb9f3592c43df5d1f48d6d102398e"},"schema_version":"1.0","source":{"id":"1604.04296","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1604.04296","created_at":"2026-05-18T01:10:30Z"},{"alias_kind":"arxiv_version","alias_value":"1604.04296v2","created_at":"2026-05-18T01:10:30Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1604.04296","created_at":"2026-05-18T01:10:30Z"},{"alias_kind":"pith_short_12","alias_value":"OMQ6BSI6SJEM","created_at":"2026-05-18T12:30:36Z"},{"alias_kind":"pith_short_16","alias_value":"OMQ6BSI6SJEMKMYZ","created_at":"2026-05-18T12:30:36Z"},{"alias_kind":"pith_short_8","alias_value":"OMQ6BSI6","created_at":"2026-05-18T12:30:36Z"}],"graph_snapshots":[{"event_id":"sha256:9c35fb2ff05bfe56692f28ca2e62e8209f7ddbf927c08ac8d41db8915a48189d","target":"graph","created_at":"2026-05-18T01:10:30Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"graph_snapshot":{"author_claims":{"count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","strong_count":0},"builder_version":"pith-number-builder-2026-05-17-v1","claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"paper":{"abstract_excerpt":"We investigate the role of Kekule and non-Kekule structures in the radical character of alternant polycyclic aromatic hydrocarbons (PAHs) using thermally-assisted-occupation density functional theory (TAO-DFT), an efficient electronic structure method for the study of large ground-state systems with strong static correlation effects. Our results reveal that the studies of Kekule and non-Kekule structures qualitatively describe the radical character of alternant PAHs, which could be useful when electronic structure calculations are infeasible due to the expensive computational cost. In addition","authors_text":"Chia-Nan Yeh, Jeng-Da Chai","cross_cats":["cond-mat.str-el"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-04-13T17:09:19Z","title":"Role of Kekul\\'e and Non-Kekul\\'e Structures in the Radical Character of Alternant Polycyclic Aromatic Hydrocarbons: A TAO-DFT Study"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1604.04296","kind":"arxiv","version":2},"verdict":{"created_at":null,"id":null,"model_set":{},"one_line_summary":"","pipeline_version":null,"pith_extraction_headline":"","strongest_claim":"","weakest_assumption":""}},"verdict_id":null}}],"author_attestations":[],"timestamp_anchors":[],"storage_attestations":[],"citation_signatures":[],"replication_records":[],"corrections":[],"mirror_hints":[],"record_created":{"event_id":"sha256:8ebe325842d02e1af567224f879a2abc88107b530b5cc643cb2eeef9e9b7402b","target":"record","created_at":"2026-05-18T01:10:30Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"attestation_state":"computed","canonical_record":{"metadata":{"abstract_canon_sha256":"9828447ff4f3935d597bc0094675e38882b76453d6b1386752490119fe2c338f","cross_cats_sorted":["cond-mat.str-el"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-04-13T17:09:19Z","title_canon_sha256":"2f60f495d0c737fe6859e1c598e40f127e4eb9f3592c43df5d1f48d6d102398e"},"schema_version":"1.0","source":{"id":"1604.04296","kind":"arxiv","version":2}},"canonical_sha256":"7321e0c91e9248c53319f15507af89b7b2b861e7e943acb7fd2c7980b828de05","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"7321e0c91e9248c53319f15507af89b7b2b861e7e943acb7fd2c7980b828de05","first_computed_at":"2026-05-18T01:10:30.553102Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T01:10:30.553102Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"147C3qRthmQ0cKm9Krakh4IbOJhCiHI9XioxY1pZDokC6aNzjrzndfmZjOdboTzzm9Lo5Cx1fbnCuEL1JoE3AA==","signature_status":"signed_v1","signed_at":"2026-05-18T01:10:30.553567Z","signed_message":"canonical_sha256_bytes"},"source_id":"1604.04296","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:8ebe325842d02e1af567224f879a2abc88107b530b5cc643cb2eeef9e9b7402b","sha256:9c35fb2ff05bfe56692f28ca2e62e8209f7ddbf927c08ac8d41db8915a48189d"],"state_sha256":"6b5632619763d78f5260d489a048857407b0845990220faf2c78e9a5baad277a"}