{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2025:LVRXS3J3SLWKYB45NVPY3PDPDP","short_pith_number":"pith:LVRXS3J3","schema_version":"1.0","canonical_sha256":"5d63796d3b92ecac079d6d5f8dbc6f1beba67c589a19c2885a59536627a48c1b","source":{"kind":"arxiv","id":"2501.08882","version":2},"attestation_state":"computed","paper":{"title":"Automated Quantum Chemistry Code Generation with the p$^\\dagger$q Package","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"A. Eugene DePrince III, Lauren N. Koulias, Marcus D. Liebenthal, Nicholas C. Rubin, Run R. Li, Stephen H. Yuwono","submitted_at":"2025-01-15T15:52:48Z","abstract_excerpt":"This article summarizes recent updates to the p$^\\dagger$q package, which is a C++ accelerated Python library for generating equations and computer code corresponding to singly-reference many-body quantum chemistry methods such as coupled-cluster (CC) and equation-of-motion (EOM) CC theory. Since 2021, the functionality in \\pq has expanded to include boson operators, coupled fermion-boson operators, unitary cluster operators, non-particle-conserving EOM operators, spin tracing, multiple single-particle subspaces, and more. Additional developments allow for the generation of C++ and Python code"},"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":"2501.08882","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-01-15T15:52:48Z","cross_cats_sorted":[],"title_canon_sha256":"bed54f4c8e28a36050affc15b55552659c6b458dee8d1f5e202a026b18736909","abstract_canon_sha256":"199b4ee65e34115364d6e0f8701e1b42080784374b89250eb76e3a1e3a0560ad"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T10:56:37.098114Z","signature_b64":"re5uXAZpiVGqXk1/fTnFUPDdWI5v2hWiJWVuxtxWufG6xF+X2sKAZV+Lc/zOdBalUM1mQmAmT7MjdM4mp+98Bg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"5d63796d3b92ecac079d6d5f8dbc6f1beba67c589a19c2885a59536627a48c1b","last_reissued_at":"2026-07-05T10:56:37.097564Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T10:56:37.097564Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Automated Quantum Chemistry Code Generation with the p$^\\dagger$q Package","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"A. Eugene DePrince III, Lauren N. Koulias, Marcus D. Liebenthal, Nicholas C. Rubin, Run R. Li, Stephen H. Yuwono","submitted_at":"2025-01-15T15:52:48Z","abstract_excerpt":"This article summarizes recent updates to the p$^\\dagger$q package, which is a C++ accelerated Python library for generating equations and computer code corresponding to singly-reference many-body quantum chemistry methods such as coupled-cluster (CC) and equation-of-motion (EOM) CC theory. Since 2021, the functionality in \\pq has expanded to include boson operators, coupled fermion-boson operators, unitary cluster operators, non-particle-conserving EOM operators, spin tracing, multiple single-particle subspaces, and more. Additional developments allow for the generation of C++ and Python code"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2501.08882","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/2501.08882/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":"2501.08882","created_at":"2026-07-05T10:56:37.097632+00:00"},{"alias_kind":"arxiv_version","alias_value":"2501.08882v2","created_at":"2026-07-05T10:56:37.097632+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2501.08882","created_at":"2026-07-05T10:56:37.097632+00:00"},{"alias_kind":"pith_short_12","alias_value":"LVRXS3J3SLWK","created_at":"2026-07-05T10:56:37.097632+00:00"},{"alias_kind":"pith_short_16","alias_value":"LVRXS3J3SLWKYB45","created_at":"2026-07-05T10:56:37.097632+00:00"},{"alias_kind":"pith_short_8","alias_value":"LVRXS3J3","created_at":"2026-07-05T10:56:37.097632+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/LVRXS3J3SLWKYB45NVPY3PDPDP","json":"https://pith.science/pith/LVRXS3J3SLWKYB45NVPY3PDPDP.json","graph_json":"https://pith.science/api/pith-number/LVRXS3J3SLWKYB45NVPY3PDPDP/graph.json","events_json":"https://pith.science/api/pith-number/LVRXS3J3SLWKYB45NVPY3PDPDP/events.json","paper":"https://pith.science/paper/LVRXS3J3"},"agent_actions":{"view_html":"https://pith.science/pith/LVRXS3J3SLWKYB45NVPY3PDPDP","download_json":"https://pith.science/pith/LVRXS3J3SLWKYB45NVPY3PDPDP.json","view_paper":"https://pith.science/paper/LVRXS3J3","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=2501.08882&json=true","fetch_graph":"https://pith.science/api/pith-number/LVRXS3J3SLWKYB45NVPY3PDPDP/graph.json","fetch_events":"https://pith.science/api/pith-number/LVRXS3J3SLWKYB45NVPY3PDPDP/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/LVRXS3J3SLWKYB45NVPY3PDPDP/action/timestamp_anchor","attest_storage":"https://pith.science/pith/LVRXS3J3SLWKYB45NVPY3PDPDP/action/storage_attestation","attest_author":"https://pith.science/pith/LVRXS3J3SLWKYB45NVPY3PDPDP/action/author_attestation","sign_citation":"https://pith.science/pith/LVRXS3J3SLWKYB45NVPY3PDPDP/action/citation_signature","submit_replication":"https://pith.science/pith/LVRXS3J3SLWKYB45NVPY3PDPDP/action/replication_record"}},"created_at":"2026-07-05T10:56:37.097632+00:00","updated_at":"2026-07-05T10:56:37.097632+00:00"}