{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2015:JCXLHOIUTLXNY4LF64UTQ6RTX2","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":"59ced2b53d65494417bc66d62f5127757e40d79266461121821a12f356888d86","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2015-06-26T07:28:43Z","title_canon_sha256":"1c5bba30abc3bfbdaaa99ea38db86de6c02ceb667f1fce47600c68598be9521d"},"schema_version":"1.0","source":{"id":"1506.07973","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1506.07973","created_at":"2026-05-18T01:09:46Z"},{"alias_kind":"arxiv_version","alias_value":"1506.07973v1","created_at":"2026-05-18T01:09:46Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1506.07973","created_at":"2026-05-18T01:09:46Z"},{"alias_kind":"pith_short_12","alias_value":"JCXLHOIUTLXN","created_at":"2026-05-18T12:29:27Z"},{"alias_kind":"pith_short_16","alias_value":"JCXLHOIUTLXNY4LF","created_at":"2026-05-18T12:29:27Z"},{"alias_kind":"pith_short_8","alias_value":"JCXLHOIU","created_at":"2026-05-18T12:29:27Z"}],"graph_snapshots":[{"event_id":"sha256:37d85a47672584ee0a29e01f35fa4b7fee25d130c8312a69c0210b9dc0e94e19","target":"graph","created_at":"2026-05-18T01:09:46Z","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":"A proper theoretical description of electronic structure of the 3d orbitals in the metal centers of functional metalorganics is a challenging problem. In this letter, we apply density functional theory and an exact diagonalization method in a many body approach to study the ground state electronic configuration of an iron porphyrin (FeP) molecule. Our study reveals that dynamical correlation effects are important, and FeP is a potential candidate for realizing a spin crossover due to a subtle balance of crystal field effects, on-site Coulomb repulsion and hybridization between the Fe d-orbital","authors_text":"Barbara Brena, Biplab Sanyal, Igor Di Marco, Malte Sch\\\"uler, Olle Eriksson, Patrik Thunstr\\\"om, Sumanta Bhandary, Tim Wehling","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2015-06-26T07:28:43Z","title":"Correlated electron behavior of metalorganic molecules: insights from density functional theory combined with many-body effects using exact diagonalization"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1506.07973","kind":"arxiv","version":1},"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":"sha256:95e0b2ee3a355726539e7ac3ac7025c3430767a28f0c8acf2475c0a31c912dd7","target":"record","created_at":"2026-05-18T01:09:46Z","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":"59ced2b53d65494417bc66d62f5127757e40d79266461121821a12f356888d86","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2015-06-26T07:28:43Z","title_canon_sha256":"1c5bba30abc3bfbdaaa99ea38db86de6c02ceb667f1fce47600c68598be9521d"},"schema_version":"1.0","source":{"id":"1506.07973","kind":"arxiv","version":1}},"canonical_sha256":"48aeb3b9149aeedc7165f729387a33be92affb8ede5b21ab7780868d4fe38cb4","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"48aeb3b9149aeedc7165f729387a33be92affb8ede5b21ab7780868d4fe38cb4","first_computed_at":"2026-05-18T01:09:46.521265Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T01:09:46.521265Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"8QQsGw8T6mYpgfB6jL/eZLzDXN1Z8p7RxwHCvZejMe8Gg4hreE25mJssCbkf1H6laIGgFP+EAD3jd6wgbHykCQ==","signature_status":"signed_v1","signed_at":"2026-05-18T01:09:46.521836Z","signed_message":"canonical_sha256_bytes"},"source_id":"1506.07973","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:95e0b2ee3a355726539e7ac3ac7025c3430767a28f0c8acf2475c0a31c912dd7","sha256:37d85a47672584ee0a29e01f35fa4b7fee25d130c8312a69c0210b9dc0e94e19"],"state_sha256":"5f538960e21d1cbbcb5d8d9145994b6e7e1caa329c0f27b5b76c3f5844f24a3f"}