{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2017:XIFOLGL47GPEV37KVNSKOM4XNS","short_pith_number":"pith:XIFOLGL4","schema_version":"1.0","canonical_sha256":"ba0ae5997cf99e4aefeaab64a733976ca2df5358bba0412d579a98f01fb0a787","source":{"kind":"arxiv","id":"1701.08223","version":2},"attestation_state":"computed","paper":{"title":"The Python-based Simulations of Chemistry Framework (PySCF)","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Elvira R.Sayfutyarova, Garnet Kin-Lic Chan, George H. Booth, James McClain, Junzi Liu, Nick S. Blunt, Qiming Sun, Sandeep Sharma, Sebastian Wouters, Sheng Guo, Timothy C. Berkelbach, Zhendong Li","submitted_at":"2017-01-27T23:57:43Z","abstract_excerpt":"PySCF is a general-purpose electronic structure platform designed from the ground up to emphasize code simplicity, both to aid new method development, as well as for flexibility in computational workflow. The package provides a wide range of tools to support simulations of finite size systems, extended systems with periodic boundary conditions, low dimensional periodic systems, and custom Hamiltonians, using mean-field and post-mean-field methods with standard Gaussian basis functions. To ensure easy of extensibility, PySCF uses the Python language to implement almost all its features, while c"},"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":"1701.08223","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-01-27T23:57:43Z","cross_cats_sorted":[],"title_canon_sha256":"9335e1a317b9dac42b6120f48b56228e962e1a5f94acb4c0446c776e056e01a7","abstract_canon_sha256":"58c36e2f21eff3969dc25050a3e6b43172f225743c6ce3431d14cb092ba7d085"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T00:49:37.681881Z","signature_b64":"VHYyI3SzsiRqgSIrDz37srsG8N+6BlTSmoToDTz6ggUWwrvw0yMgw5TfZpKL/iqjP3XZPOwNwXZ50aZX3oxgBQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"ba0ae5997cf99e4aefeaab64a733976ca2df5358bba0412d579a98f01fb0a787","last_reissued_at":"2026-05-18T00:49:37.681091Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T00:49:37.681091Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"The Python-based Simulations of Chemistry Framework (PySCF)","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Elvira R.Sayfutyarova, Garnet Kin-Lic Chan, George H. Booth, James McClain, Junzi Liu, Nick S. Blunt, Qiming Sun, Sandeep Sharma, Sebastian Wouters, Sheng Guo, Timothy C. Berkelbach, Zhendong Li","submitted_at":"2017-01-27T23:57:43Z","abstract_excerpt":"PySCF is a general-purpose electronic structure platform designed from the ground up to emphasize code simplicity, both to aid new method development, as well as for flexibility in computational workflow. The package provides a wide range of tools to support simulations of finite size systems, extended systems with periodic boundary conditions, low dimensional periodic systems, and custom Hamiltonians, using mean-field and post-mean-field methods with standard Gaussian basis functions. To ensure easy of extensibility, PySCF uses the Python language to implement almost all its features, while c"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1701.08223","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":""},"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":"1701.08223","created_at":"2026-05-18T00:49:37.681221+00:00"},{"alias_kind":"arxiv_version","alias_value":"1701.08223v2","created_at":"2026-05-18T00:49:37.681221+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1701.08223","created_at":"2026-05-18T00:49:37.681221+00:00"},{"alias_kind":"pith_short_12","alias_value":"XIFOLGL47GPE","created_at":"2026-05-18T12:31:53.515858+00:00"},{"alias_kind":"pith_short_16","alias_value":"XIFOLGL47GPEV37K","created_at":"2026-05-18T12:31:53.515858+00:00"},{"alias_kind":"pith_short_8","alias_value":"XIFOLGL4","created_at":"2026-05-18T12:31:53.515858+00:00"}],"events":[],"event_summary":{},"paper_claims":[],"inbound_citations":{"count":3,"internal_anchor_count":2,"sample":[{"citing_arxiv_id":"2605.18876","citing_title":"Statistical Quantum Phase Estimation: Extensions and Practical Considerations","ref_index":16,"is_internal_anchor":true},{"citing_arxiv_id":"2511.22158","citing_title":"Quantum Simulation of Ligand-like Molecules through Sample-based Quantum Diagonalization in Density Matrix Embedding Framework","ref_index":50,"is_internal_anchor":true},{"citing_arxiv_id":"2605.10667","citing_title":"Quantum Simulation of Magnetic Materials: from Ab-Initio to NISQ","ref_index":52,"is_internal_anchor":false}]},"formal_canon":{"evidence_count":0,"sample":[],"anchors":[]},"links":{"html":"https://pith.science/pith/XIFOLGL47GPEV37KVNSKOM4XNS","json":"https://pith.science/pith/XIFOLGL47GPEV37KVNSKOM4XNS.json","graph_json":"https://pith.science/api/pith-number/XIFOLGL47GPEV37KVNSKOM4XNS/graph.json","events_json":"https://pith.science/api/pith-number/XIFOLGL47GPEV37KVNSKOM4XNS/events.json","paper":"https://pith.science/paper/XIFOLGL4"},"agent_actions":{"view_html":"https://pith.science/pith/XIFOLGL47GPEV37KVNSKOM4XNS","download_json":"https://pith.science/pith/XIFOLGL47GPEV37KVNSKOM4XNS.json","view_paper":"https://pith.science/paper/XIFOLGL4","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=1701.08223&json=true","fetch_graph":"https://pith.science/api/pith-number/XIFOLGL47GPEV37KVNSKOM4XNS/graph.json","fetch_events":"https://pith.science/api/pith-number/XIFOLGL47GPEV37KVNSKOM4XNS/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/XIFOLGL47GPEV37KVNSKOM4XNS/action/timestamp_anchor","attest_storage":"https://pith.science/pith/XIFOLGL47GPEV37KVNSKOM4XNS/action/storage_attestation","attest_author":"https://pith.science/pith/XIFOLGL47GPEV37KVNSKOM4XNS/action/author_attestation","sign_citation":"https://pith.science/pith/XIFOLGL47GPEV37KVNSKOM4XNS/action/citation_signature","submit_replication":"https://pith.science/pith/XIFOLGL47GPEV37KVNSKOM4XNS/action/replication_record"}},"created_at":"2026-05-18T00:49:37.681221+00:00","updated_at":"2026-05-18T00:49:37.681221+00:00"}