{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2011:5OHA6T7JGJTD3W5PZICHMBZINB","short_pith_number":"pith:5OHA6T7J","canonical_record":{"source":{"id":"1104.1517","kind":"arxiv","version":3},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2011-04-08T08:33:03Z","cross_cats_sorted":[],"title_canon_sha256":"80f2c5803d150841bd37b9301c9b6ae32b0415d5aefde94061330280cecb819f","abstract_canon_sha256":"80d814fda6693b180b1faeb9df7891d7e8861ddf268e6ee9cf81408078a3edf8"},"schema_version":"1.0"},"canonical_sha256":"eb8e0f4fe932663ddbafca04760728684d167c2085423fbcd8f21b954267cfbf","source":{"kind":"arxiv","id":"1104.1517","version":3},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1104.1517","created_at":"2026-05-18T04:03:43Z"},{"alias_kind":"arxiv_version","alias_value":"1104.1517v3","created_at":"2026-05-18T04:03:43Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1104.1517","created_at":"2026-05-18T04:03:43Z"},{"alias_kind":"pith_short_12","alias_value":"5OHA6T7JGJTD","created_at":"2026-05-18T12:26:20Z"},{"alias_kind":"pith_short_16","alias_value":"5OHA6T7JGJTD3W5P","created_at":"2026-05-18T12:26:20Z"},{"alias_kind":"pith_short_8","alias_value":"5OHA6T7J","created_at":"2026-05-18T12:26:20Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2011:5OHA6T7JGJTD3W5PZICHMBZINB","target":"record","payload":{"canonical_record":{"source":{"id":"1104.1517","kind":"arxiv","version":3},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2011-04-08T08:33:03Z","cross_cats_sorted":[],"title_canon_sha256":"80f2c5803d150841bd37b9301c9b6ae32b0415d5aefde94061330280cecb819f","abstract_canon_sha256":"80d814fda6693b180b1faeb9df7891d7e8861ddf268e6ee9cf81408078a3edf8"},"schema_version":"1.0"},"canonical_sha256":"eb8e0f4fe932663ddbafca04760728684d167c2085423fbcd8f21b954267cfbf","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T04:03:43.298488Z","signature_b64":"4rh1PD6hVh/e67yUBwX2haCzHgyGUSyc3XmT7mDWmMrXqrziRBgfYrVPFgnrNUVO0AnSmCvvGHys7/S1+5koDQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"eb8e0f4fe932663ddbafca04760728684d167c2085423fbcd8f21b954267cfbf","last_reissued_at":"2026-05-18T04:03:43.297809Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T04:03:43.297809Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1104.1517","source_version":3,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-18T04:03:43Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"x/i5wSZdDL7MQmKckqQ8fmfAoZxpz13YxWKjnymIpBZT/yDxzfH0Syvy1ydUTbvtr+dIV4kY5A9ToibsUU5KDg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-27T14:45:04.086014Z"},"content_sha256":"d2625f840a8b8379e50537cbc46e599fb5fd1a64f69fb0ae289efc4d912fb863","schema_version":"1.0","event_id":"sha256:d2625f840a8b8379e50537cbc46e599fb5fd1a64f69fb0ae289efc4d912fb863"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2011:5OHA6T7JGJTD3W5PZICHMBZINB","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Ab initio derivation of multi-orbital extended Hubbard model for molecular crystals","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Marie-Laure Bonnet, Masahisa Tsuchiizu, Vincent Robert, Yoshikazu Suzumura, Yukiko Omori","submitted_at":"2011-04-08T08:33:03Z","abstract_excerpt":"From configuration interaction (CI) ab initio calculations, we derive an effective two-orbital extended Hubbard model based on the gerade (g) and ungerade (u) molecular orbitals (MOs) of the charge-transfer molecular conductor (TTM-TTP)I_3 and the single-component molecular conductor [Au(tmdt)_2]. First, by focusing on the isolated molecule, we determine the parameters for the model Hamiltonian so as to reproduce the CI Hamiltonian matrix. Next, we extend the analysis to two neighboring molecule pairs in the crystal and we perform similar calculations to evaluate the inter-molecular interactio"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1104.1517","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"},"verdict_id":null},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-18T04:03:43Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"uFRNOSRuWLxWeXTms9vBq0v3IP1fG0RC6ooCbOeJPhUBoveh2gfsx5D+UH+F32irsfSSZCPsWAX4jcakI8RjDw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-27T14:45:04.086543Z"},"content_sha256":"c174606a005a5d9d0e0d450111c18f794f3c37e7a440ff891161563e7fa36900","schema_version":"1.0","event_id":"sha256:c174606a005a5d9d0e0d450111c18f794f3c37e7a440ff891161563e7fa36900"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/5OHA6T7JGJTD3W5PZICHMBZINB/bundle.json","state_url":"https://pith.science/pith/5OHA6T7JGJTD3W5PZICHMBZINB/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/5OHA6T7JGJTD3W5PZICHMBZINB/bundle.json","status":"primary"}],"public_keys":[{"key_id":"pith-v1-2026-05","algorithm":"ed25519","format":"raw","public_key_b64":"stVStoiQhXFxp4s2pdzPNoqVNBMojDU/fJ2db5S3CbM=","public_key_hex":"b2d552b68890857171a78b36a5dccf368a953413288c353f7c9d9d6f94b709b3","fingerprint_sha256_b32_first128bits":"RVFV5Z2OI2J3ZUO7ERDEBCYNKS","fingerprint_sha256_hex":"8d4b5ee74e4693bcd1df2446408b0d54","rotates_at":null,"url":"https://pith.science/pith-signing-key.json","notes":"Pith uses this Ed25519 key to sign canonical record SHA-256 digests. Verify with: ed25519_verify(public_key, message=canonical_sha256_bytes, signature=base64decode(signature_b64))."}],"merge_version":"pith-open-graph-merge-v1","built_at":"2026-05-27T14:45:04Z","links":{"resolver":"https://pith.science/pith/5OHA6T7JGJTD3W5PZICHMBZINB","bundle":"https://pith.science/pith/5OHA6T7JGJTD3W5PZICHMBZINB/bundle.json","state":"https://pith.science/pith/5OHA6T7JGJTD3W5PZICHMBZINB/state.json","well_known_bundle":"https://pith.science/.well-known/pith/5OHA6T7JGJTD3W5PZICHMBZINB/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2011:5OHA6T7JGJTD3W5PZICHMBZINB","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":"80d814fda6693b180b1faeb9df7891d7e8861ddf268e6ee9cf81408078a3edf8","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2011-04-08T08:33:03Z","title_canon_sha256":"80f2c5803d150841bd37b9301c9b6ae32b0415d5aefde94061330280cecb819f"},"schema_version":"1.0","source":{"id":"1104.1517","kind":"arxiv","version":3}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1104.1517","created_at":"2026-05-18T04:03:43Z"},{"alias_kind":"arxiv_version","alias_value":"1104.1517v3","created_at":"2026-05-18T04:03:43Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1104.1517","created_at":"2026-05-18T04:03:43Z"},{"alias_kind":"pith_short_12","alias_value":"5OHA6T7JGJTD","created_at":"2026-05-18T12:26:20Z"},{"alias_kind":"pith_short_16","alias_value":"5OHA6T7JGJTD3W5P","created_at":"2026-05-18T12:26:20Z"},{"alias_kind":"pith_short_8","alias_value":"5OHA6T7J","created_at":"2026-05-18T12:26:20Z"}],"graph_snapshots":[{"event_id":"sha256:c174606a005a5d9d0e0d450111c18f794f3c37e7a440ff891161563e7fa36900","target":"graph","created_at":"2026-05-18T04:03:43Z","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":"From configuration interaction (CI) ab initio calculations, we derive an effective two-orbital extended Hubbard model based on the gerade (g) and ungerade (u) molecular orbitals (MOs) of the charge-transfer molecular conductor (TTM-TTP)I_3 and the single-component molecular conductor [Au(tmdt)_2]. First, by focusing on the isolated molecule, we determine the parameters for the model Hamiltonian so as to reproduce the CI Hamiltonian matrix. Next, we extend the analysis to two neighboring molecule pairs in the crystal and we perform similar calculations to evaluate the inter-molecular interactio","authors_text":"Marie-Laure Bonnet, Masahisa Tsuchiizu, Vincent Robert, Yoshikazu Suzumura, Yukiko Omori","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2011-04-08T08:33:03Z","title":"Ab initio derivation of multi-orbital extended Hubbard model for molecular crystals"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1104.1517","kind":"arxiv","version":3},"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:d2625f840a8b8379e50537cbc46e599fb5fd1a64f69fb0ae289efc4d912fb863","target":"record","created_at":"2026-05-18T04:03:43Z","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":"80d814fda6693b180b1faeb9df7891d7e8861ddf268e6ee9cf81408078a3edf8","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2011-04-08T08:33:03Z","title_canon_sha256":"80f2c5803d150841bd37b9301c9b6ae32b0415d5aefde94061330280cecb819f"},"schema_version":"1.0","source":{"id":"1104.1517","kind":"arxiv","version":3}},"canonical_sha256":"eb8e0f4fe932663ddbafca04760728684d167c2085423fbcd8f21b954267cfbf","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"eb8e0f4fe932663ddbafca04760728684d167c2085423fbcd8f21b954267cfbf","first_computed_at":"2026-05-18T04:03:43.297809Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T04:03:43.297809Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"4rh1PD6hVh/e67yUBwX2haCzHgyGUSyc3XmT7mDWmMrXqrziRBgfYrVPFgnrNUVO0AnSmCvvGHys7/S1+5koDQ==","signature_status":"signed_v1","signed_at":"2026-05-18T04:03:43.298488Z","signed_message":"canonical_sha256_bytes"},"source_id":"1104.1517","source_kind":"arxiv","source_version":3}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:d2625f840a8b8379e50537cbc46e599fb5fd1a64f69fb0ae289efc4d912fb863","sha256:c174606a005a5d9d0e0d450111c18f794f3c37e7a440ff891161563e7fa36900"],"state_sha256":"46c617765f218920be86240a4434d483b38f9b3086ff04a5d78f673edf56b816"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"vEQU+DVGk5PrkS0pmQFrX5JpguQXeUiYzaVJP4qibInEs41lbh/yP8v0urUaLk0CPhS+9urOuy2dFeqvzTDGDg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-05-27T14:45:04.090230Z","bundle_sha256":"48db647e5fe2625cafe2e3b6f74c82fcf1c4a284c6fc8fca94b77541e477db99"}}