{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2024:IRKU3Q66J2QPDGH3MFKXD6DPMT","short_pith_number":"pith:IRKU3Q66","schema_version":"1.0","canonical_sha256":"44554dc3de4ea0f198fb615571f86f64f65767dbc8b4f82fe0ab27329aa81162","source":{"kind":"arxiv","id":"2405.01400","version":3},"attestation_state":"computed","paper":{"title":"Scalable Ab Initio Electronic Structure Methods with Near Chemical Accuracy for Main Group Chemistry","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Ankit Mahajan, David R. Reichman, John L. Weber, Richard A. Friesner, Sibali Debnath, Yujing Wei","submitted_at":"2024-05-02T15:49:40Z","abstract_excerpt":"This study evaluates the precision of widely recognized quantum chemical methodologies, CCSD(T), DLPNO-CCSD(T) and localized ph-AFQMC, for determining the thermochemistry of main group elements. DLPNO-CCSD(T) and localized ph-AFQMC, which offer greater scalability compared to canonical CCSD(T), have emerged over the last decade as pivotal in producing precise benchmark chemical data. Our investigation includes closed-shell, neutral molecules, focusing on their heat of formation and atomization energy sourced from four specific small molecule datasets. Firstly, we selected molecules from the G2"},"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":"2405.01400","kind":"arxiv","version":3},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-05-02T15:49:40Z","cross_cats_sorted":[],"title_canon_sha256":"860466e63335e722d009f567237765c2fbbe74e1fa515ecda7d3f661424e9810","abstract_canon_sha256":"ac1c6749e83faa19080b280daf0bb7cf01f166bb5fb6bbbe4459e815dc322df5"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T08:49:34.013279Z","signature_b64":"H/i9M6nlSWbqqR3amXdbT4IrkpGPNWKfg4gUuG6nLVvFvpnxPL7OyFyVv+Ph1cFO8xzBYqsQEiXbOSDyycVECw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"44554dc3de4ea0f198fb615571f86f64f65767dbc8b4f82fe0ab27329aa81162","last_reissued_at":"2026-07-05T08:49:34.012809Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T08:49:34.012809Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Scalable Ab Initio Electronic Structure Methods with Near Chemical Accuracy for Main Group Chemistry","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Ankit Mahajan, David R. Reichman, John L. Weber, Richard A. Friesner, Sibali Debnath, Yujing Wei","submitted_at":"2024-05-02T15:49:40Z","abstract_excerpt":"This study evaluates the precision of widely recognized quantum chemical methodologies, CCSD(T), DLPNO-CCSD(T) and localized ph-AFQMC, for determining the thermochemistry of main group elements. DLPNO-CCSD(T) and localized ph-AFQMC, which offer greater scalability compared to canonical CCSD(T), have emerged over the last decade as pivotal in producing precise benchmark chemical data. Our investigation includes closed-shell, neutral molecules, focusing on their heat of formation and atomization energy sourced from four specific small molecule datasets. Firstly, we selected molecules from the G2"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2405.01400","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":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2405.01400/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"},"aliases":[{"alias_kind":"arxiv","alias_value":"2405.01400","created_at":"2026-07-05T08:49:34.012865+00:00"},{"alias_kind":"arxiv_version","alias_value":"2405.01400v3","created_at":"2026-07-05T08:49:34.012865+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2405.01400","created_at":"2026-07-05T08:49:34.012865+00:00"},{"alias_kind":"pith_short_12","alias_value":"IRKU3Q66J2QP","created_at":"2026-07-05T08:49:34.012865+00:00"},{"alias_kind":"pith_short_16","alias_value":"IRKU3Q66J2QPDGH3","created_at":"2026-07-05T08:49:34.012865+00:00"},{"alias_kind":"pith_short_8","alias_value":"IRKU3Q66","created_at":"2026-07-05T08:49:34.012865+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/IRKU3Q66J2QPDGH3MFKXD6DPMT","json":"https://pith.science/pith/IRKU3Q66J2QPDGH3MFKXD6DPMT.json","graph_json":"https://pith.science/api/pith-number/IRKU3Q66J2QPDGH3MFKXD6DPMT/graph.json","events_json":"https://pith.science/api/pith-number/IRKU3Q66J2QPDGH3MFKXD6DPMT/events.json","paper":"https://pith.science/paper/IRKU3Q66"},"agent_actions":{"view_html":"https://pith.science/pith/IRKU3Q66J2QPDGH3MFKXD6DPMT","download_json":"https://pith.science/pith/IRKU3Q66J2QPDGH3MFKXD6DPMT.json","view_paper":"https://pith.science/paper/IRKU3Q66","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=2405.01400&json=true","fetch_graph":"https://pith.science/api/pith-number/IRKU3Q66J2QPDGH3MFKXD6DPMT/graph.json","fetch_events":"https://pith.science/api/pith-number/IRKU3Q66J2QPDGH3MFKXD6DPMT/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/IRKU3Q66J2QPDGH3MFKXD6DPMT/action/timestamp_anchor","attest_storage":"https://pith.science/pith/IRKU3Q66J2QPDGH3MFKXD6DPMT/action/storage_attestation","attest_author":"https://pith.science/pith/IRKU3Q66J2QPDGH3MFKXD6DPMT/action/author_attestation","sign_citation":"https://pith.science/pith/IRKU3Q66J2QPDGH3MFKXD6DPMT/action/citation_signature","submit_replication":"https://pith.science/pith/IRKU3Q66J2QPDGH3MFKXD6DPMT/action/replication_record"}},"created_at":"2026-07-05T08:49:34.012865+00:00","updated_at":"2026-07-05T08:49:34.012865+00:00"}