{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2024:NULO6PQYPIPALJXUQ2CE63EAZJ","short_pith_number":"pith:NULO6PQY","canonical_record":{"source":{"id":"2405.09187","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-05-15T08:48:24Z","cross_cats_sorted":["cond-mat.mtrl-sci","physics.comp-ph","quant-ph"],"title_canon_sha256":"a7d924f09ca11eb9988874b4b3a2a3226dd08349082a240610aa43407dc6467c","abstract_canon_sha256":"a5fb3c1dbba1ff06aff23ae6f081ecae45c25b5fe1906950235a51e2e9040b68"},"schema_version":"1.0"},"canonical_sha256":"6d16ef3e187a1e05a6f486844f6c80ca450c2e5bdbc13cfe1e063bb8001525a5","source":{"kind":"arxiv","id":"2405.09187","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2405.09187","created_at":"2026-07-05T08:31:15Z"},{"alias_kind":"arxiv_version","alias_value":"2405.09187v2","created_at":"2026-07-05T08:31:15Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2405.09187","created_at":"2026-07-05T08:31:15Z"},{"alias_kind":"pith_short_12","alias_value":"NULO6PQYPIPA","created_at":"2026-07-05T08:31:15Z"},{"alias_kind":"pith_short_16","alias_value":"NULO6PQYPIPALJXU","created_at":"2026-07-05T08:31:15Z"},{"alias_kind":"pith_short_8","alias_value":"NULO6PQY","created_at":"2026-07-05T08:31:15Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2024:NULO6PQYPIPALJXUQ2CE63EAZJ","target":"record","payload":{"canonical_record":{"source":{"id":"2405.09187","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-05-15T08:48:24Z","cross_cats_sorted":["cond-mat.mtrl-sci","physics.comp-ph","quant-ph"],"title_canon_sha256":"a7d924f09ca11eb9988874b4b3a2a3226dd08349082a240610aa43407dc6467c","abstract_canon_sha256":"a5fb3c1dbba1ff06aff23ae6f081ecae45c25b5fe1906950235a51e2e9040b68"},"schema_version":"1.0"},"canonical_sha256":"6d16ef3e187a1e05a6f486844f6c80ca450c2e5bdbc13cfe1e063bb8001525a5","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T08:31:15.425293Z","signature_b64":"Hu0BH27XpjTErFKPZyn8nycso4MJTuO/AOYSls4OJYg01M59cl+y9e0JKq2yrbXtiuAEwneTEhRNkxn4/OeQCQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"6d16ef3e187a1e05a6f486844f6c80ca450c2e5bdbc13cfe1e063bb8001525a5","last_reissued_at":"2026-07-05T08:31:15.424846Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T08:31:15.424846Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2405.09187","source_version":2,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T08:31:15Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"0JjwOzyQT6hBdAChzcBuP4NFUbSfoPBPee0yCV71h4uy9g03Ns3fGQA8Fr2ZAo9ZlwaHpkaAQEVVUA3tjJQvBg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-14T15:33:36.401564Z"},"content_sha256":"a6bf9449b410234cbeffb264414d24da6ecb6e43b2b9bd506239cb2d37922257","schema_version":"1.0","event_id":"sha256:a6bf9449b410234cbeffb264414d24da6ecb6e43b2b9bd506239cb2d37922257"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2024:NULO6PQYPIPALJXUQ2CE63EAZJ","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Spin Symmetry in Thermally-Assisted-Occupation Density Functional Theory","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.mtrl-sci","physics.comp-ph","quant-ph"],"primary_cat":"physics.chem-ph","authors_text":"Jeng-Da Chai, Yu-Yang Wang","submitted_at":"2024-05-15T08:48:24Z","abstract_excerpt":"For electronic systems with multi-reference (MR) character, Kohn-Sham density functional theory (KS-DFT) with the conventional exchange-correlation (xc) energy functionals can lead to incorrect spin densities and related properties. For example, for H2 dissociation, the spin-restricted and spin-unrestricted solutions obtained with the same xc energy functional in KS-DFT can be distinctly different, yielding the unphysical spin-symmetry breaking effects in the spin-unrestricted solutions. Recently, thermally-assisted-occupation density functional theory (TAO-DFT) has been shown to resolve the a"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2405.09187","kind":"arxiv","version":2},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2405.09187/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"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":"2026-07-05T08:31:15Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"5oDjGrsjiGxMA1XPuiEFcS/1Dsj14Y/pRoMk7WSAPLvFIIMI1wyKZePU1VefbbGejq4EHrgUbL1pX0FUUHvHBQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-14T15:33:36.402039Z"},"content_sha256":"e4febc0606e2d5bad8eb89cb6adee8c885b89743c7a9bdd9e809b51eccb30ae3","schema_version":"1.0","event_id":"sha256:e4febc0606e2d5bad8eb89cb6adee8c885b89743c7a9bdd9e809b51eccb30ae3"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/NULO6PQYPIPALJXUQ2CE63EAZJ/bundle.json","state_url":"https://pith.science/pith/NULO6PQYPIPALJXUQ2CE63EAZJ/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/NULO6PQYPIPALJXUQ2CE63EAZJ/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":"2026-08-14T15:33:36Z","links":{"resolver":"https://pith.science/pith/NULO6PQYPIPALJXUQ2CE63EAZJ","bundle":"https://pith.science/pith/NULO6PQYPIPALJXUQ2CE63EAZJ/bundle.json","state":"https://pith.science/pith/NULO6PQYPIPALJXUQ2CE63EAZJ/state.json","well_known_bundle":"https://pith.science/.well-known/pith/NULO6PQYPIPALJXUQ2CE63EAZJ/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2024:NULO6PQYPIPALJXUQ2CE63EAZJ","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":"a5fb3c1dbba1ff06aff23ae6f081ecae45c25b5fe1906950235a51e2e9040b68","cross_cats_sorted":["cond-mat.mtrl-sci","physics.comp-ph","quant-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-05-15T08:48:24Z","title_canon_sha256":"a7d924f09ca11eb9988874b4b3a2a3226dd08349082a240610aa43407dc6467c"},"schema_version":"1.0","source":{"id":"2405.09187","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2405.09187","created_at":"2026-07-05T08:31:15Z"},{"alias_kind":"arxiv_version","alias_value":"2405.09187v2","created_at":"2026-07-05T08:31:15Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2405.09187","created_at":"2026-07-05T08:31:15Z"},{"alias_kind":"pith_short_12","alias_value":"NULO6PQYPIPA","created_at":"2026-07-05T08:31:15Z"},{"alias_kind":"pith_short_16","alias_value":"NULO6PQYPIPALJXU","created_at":"2026-07-05T08:31:15Z"},{"alias_kind":"pith_short_8","alias_value":"NULO6PQY","created_at":"2026-07-05T08:31:15Z"}],"graph_snapshots":[{"event_id":"sha256:e4febc0606e2d5bad8eb89cb6adee8c885b89743c7a9bdd9e809b51eccb30ae3","target":"graph","created_at":"2026-07-05T08:31:15Z","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"},"integrity":{"available":true,"clean":true,"detectors_run":[],"endpoint":"/pith/2405.09187/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"For electronic systems with multi-reference (MR) character, Kohn-Sham density functional theory (KS-DFT) with the conventional exchange-correlation (xc) energy functionals can lead to incorrect spin densities and related properties. For example, for H2 dissociation, the spin-restricted and spin-unrestricted solutions obtained with the same xc energy functional in KS-DFT can be distinctly different, yielding the unphysical spin-symmetry breaking effects in the spin-unrestricted solutions. Recently, thermally-assisted-occupation density functional theory (TAO-DFT) has been shown to resolve the a","authors_text":"Jeng-Da Chai, Yu-Yang Wang","cross_cats":["cond-mat.mtrl-sci","physics.comp-ph","quant-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-05-15T08:48:24Z","title":"Spin Symmetry in Thermally-Assisted-Occupation Density Functional Theory"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2405.09187","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:a6bf9449b410234cbeffb264414d24da6ecb6e43b2b9bd506239cb2d37922257","target":"record","created_at":"2026-07-05T08:31:15Z","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":"a5fb3c1dbba1ff06aff23ae6f081ecae45c25b5fe1906950235a51e2e9040b68","cross_cats_sorted":["cond-mat.mtrl-sci","physics.comp-ph","quant-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-05-15T08:48:24Z","title_canon_sha256":"a7d924f09ca11eb9988874b4b3a2a3226dd08349082a240610aa43407dc6467c"},"schema_version":"1.0","source":{"id":"2405.09187","kind":"arxiv","version":2}},"canonical_sha256":"6d16ef3e187a1e05a6f486844f6c80ca450c2e5bdbc13cfe1e063bb8001525a5","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"6d16ef3e187a1e05a6f486844f6c80ca450c2e5bdbc13cfe1e063bb8001525a5","first_computed_at":"2026-07-05T08:31:15.424846Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T08:31:15.424846Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"Hu0BH27XpjTErFKPZyn8nycso4MJTuO/AOYSls4OJYg01M59cl+y9e0JKq2yrbXtiuAEwneTEhRNkxn4/OeQCQ==","signature_status":"signed_v1","signed_at":"2026-07-05T08:31:15.425293Z","signed_message":"canonical_sha256_bytes"},"source_id":"2405.09187","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:a6bf9449b410234cbeffb264414d24da6ecb6e43b2b9bd506239cb2d37922257","sha256:e4febc0606e2d5bad8eb89cb6adee8c885b89743c7a9bdd9e809b51eccb30ae3"],"state_sha256":"2dc68db77d46567984d65b3a3b73bd78e27294b984c068f58c5528d62505a447"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"bmTtG+GgC/GAMC1pr/t2HkPIyWY4zU8hrJbHb2+TcNrOmPrmOHyMhpVyRsNn1pQR7hcvLZ+cBHokqS0KrWZvDA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-14T15:33:36.406582Z","bundle_sha256":"82e6c166e1c9a1e6d357bd6f4137183ec4c61cbd7d12b5abc675885b2637b93f"}}