{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2019:A4XYUBPSZGTAQZ26NKHNA7A6VH","short_pith_number":"pith:A4XYUBPS","canonical_record":{"source":{"id":"1912.08379","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2019-12-18T05:02:01Z","cross_cats_sorted":["cond-mat.str-el","physics.atm-clus","physics.chem-ph","quant-ph"],"title_canon_sha256":"4318202b0edacdc370040058bdbff207e1da5093fb80bf80b7413c1c53c95b28","abstract_canon_sha256":"0280263a37f65cb6603a26fab1d6dfb53126ff4576ea0653c6c9b7f62d119624"},"schema_version":"1.0"},"canonical_sha256":"072f8a05f2c9a608675e6a8ed07c1ea9c196ecfbadbeb6bc498d95580c2102d8","source":{"kind":"arxiv","id":"1912.08379","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1912.08379","created_at":"2026-07-05T03:42:36Z"},{"alias_kind":"arxiv_version","alias_value":"1912.08379v2","created_at":"2026-07-05T03:42:36Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1912.08379","created_at":"2026-07-05T03:42:36Z"},{"alias_kind":"pith_short_12","alias_value":"A4XYUBPSZGTA","created_at":"2026-07-05T03:42:36Z"},{"alias_kind":"pith_short_16","alias_value":"A4XYUBPSZGTAQZ26","created_at":"2026-07-05T03:42:36Z"},{"alias_kind":"pith_short_8","alias_value":"A4XYUBPS","created_at":"2026-07-05T03:42:36Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2019:A4XYUBPSZGTAQZ26NKHNA7A6VH","target":"record","payload":{"canonical_record":{"source":{"id":"1912.08379","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2019-12-18T05:02:01Z","cross_cats_sorted":["cond-mat.str-el","physics.atm-clus","physics.chem-ph","quant-ph"],"title_canon_sha256":"4318202b0edacdc370040058bdbff207e1da5093fb80bf80b7413c1c53c95b28","abstract_canon_sha256":"0280263a37f65cb6603a26fab1d6dfb53126ff4576ea0653c6c9b7f62d119624"},"schema_version":"1.0"},"canonical_sha256":"072f8a05f2c9a608675e6a8ed07c1ea9c196ecfbadbeb6bc498d95580c2102d8","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T03:42:36.848674Z","signature_b64":"wJyPIBvtlfGLjwaQCi5sWpk5SQLwNeGgHNMw0UgbSg9xj2rOEDGtJRoZ750a+Y2d3+ZuDOEy0XBGPtQ7U1RnCw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"072f8a05f2c9a608675e6a8ed07c1ea9c196ecfbadbeb6bc498d95580c2102d8","last_reissued_at":"2026-07-05T03:42:36.848323Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T03:42:36.848323Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1912.08379","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":"2026-07-05T03:42:36Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"vCRtRuHG8XiWn4mBug9qtUFk2tJBwbAsIQBCq7APvdvUiwyhFolRFUgq2nz7mG87EjS/tBQCioDqwpB7sXqoAg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-14T12:25:37.294589Z"},"content_sha256":"1911c1ca7b119cde9b66d41063c6a19f59661754584882258ef51a5c22125d77","schema_version":"1.0","event_id":"sha256:1911c1ca7b119cde9b66d41063c6a19f59661754584882258ef51a5c22125d77"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2019:A4XYUBPSZGTAQZ26NKHNA7A6VH","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"CASSCF with Extremely Large Active Spaces using the Adaptive Sampling Configuration Interaction Method","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.str-el","physics.atm-clus","physics.chem-ph","quant-ph"],"primary_cat":"physics.comp-ph","authors_text":"Daniel S. Levine, Diptarka Hait, K. Birgitta Whaley, Martin Head-Gordon, Norm M. Tubman, Susi Lehtola","submitted_at":"2019-12-18T05:02:01Z","abstract_excerpt":"The complete active space self-consistent field (CASSCF) method is the principal approach employed for studying strongly correlated systems. However, exact CASSCF can only be performed on small active spaces of ~20 electrons in ~20 orbitals due to exponential growth in the computational cost. We show that employing the Adaptive Sampling Configuration Interaction (ASCI) method as an approximate Full CI solver in the active space allows CASSCF-like calculations within chemical accuracy (<1 kcal/mol for relative energies) in active spaces with more than ~50 active electrons in ~50 active orbitals"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1912.08379","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/1912.08379/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":"2026-07-05T03:42:36Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"HWrH2FwDf/CDh/ldP8Z9j0+c/oF0rS80u28KMeVAGjcp26nbydtfdCqnDqj36edZhYrul4u5gnsbJK2fZDa9BA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-14T12:25:37.295083Z"},"content_sha256":"1b5e0d2c3b815bb8fbd08378eb364dd47dacc1b60600596793c1049a55aa2994","schema_version":"1.0","event_id":"sha256:1b5e0d2c3b815bb8fbd08378eb364dd47dacc1b60600596793c1049a55aa2994"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/A4XYUBPSZGTAQZ26NKHNA7A6VH/bundle.json","state_url":"https://pith.science/pith/A4XYUBPSZGTAQZ26NKHNA7A6VH/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/A4XYUBPSZGTAQZ26NKHNA7A6VH/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":"2026-08-14T12:25:37Z","links":{"resolver":"https://pith.science/pith/A4XYUBPSZGTAQZ26NKHNA7A6VH","bundle":"https://pith.science/pith/A4XYUBPSZGTAQZ26NKHNA7A6VH/bundle.json","state":"https://pith.science/pith/A4XYUBPSZGTAQZ26NKHNA7A6VH/state.json","well_known_bundle":"https://pith.science/.well-known/pith/A4XYUBPSZGTAQZ26NKHNA7A6VH/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2019:A4XYUBPSZGTAQZ26NKHNA7A6VH","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":"0280263a37f65cb6603a26fab1d6dfb53126ff4576ea0653c6c9b7f62d119624","cross_cats_sorted":["cond-mat.str-el","physics.atm-clus","physics.chem-ph","quant-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2019-12-18T05:02:01Z","title_canon_sha256":"4318202b0edacdc370040058bdbff207e1da5093fb80bf80b7413c1c53c95b28"},"schema_version":"1.0","source":{"id":"1912.08379","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1912.08379","created_at":"2026-07-05T03:42:36Z"},{"alias_kind":"arxiv_version","alias_value":"1912.08379v2","created_at":"2026-07-05T03:42:36Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1912.08379","created_at":"2026-07-05T03:42:36Z"},{"alias_kind":"pith_short_12","alias_value":"A4XYUBPSZGTA","created_at":"2026-07-05T03:42:36Z"},{"alias_kind":"pith_short_16","alias_value":"A4XYUBPSZGTAQZ26","created_at":"2026-07-05T03:42:36Z"},{"alias_kind":"pith_short_8","alias_value":"A4XYUBPS","created_at":"2026-07-05T03:42:36Z"}],"graph_snapshots":[{"event_id":"sha256:1b5e0d2c3b815bb8fbd08378eb364dd47dacc1b60600596793c1049a55aa2994","target":"graph","created_at":"2026-07-05T03:42:36Z","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/1912.08379/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"The complete active space self-consistent field (CASSCF) method is the principal approach employed for studying strongly correlated systems. However, exact CASSCF can only be performed on small active spaces of ~20 electrons in ~20 orbitals due to exponential growth in the computational cost. We show that employing the Adaptive Sampling Configuration Interaction (ASCI) method as an approximate Full CI solver in the active space allows CASSCF-like calculations within chemical accuracy (<1 kcal/mol for relative energies) in active spaces with more than ~50 active electrons in ~50 active orbitals","authors_text":"Daniel S. Levine, Diptarka Hait, K. Birgitta Whaley, Martin Head-Gordon, Norm M. Tubman, Susi Lehtola","cross_cats":["cond-mat.str-el","physics.atm-clus","physics.chem-ph","quant-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2019-12-18T05:02:01Z","title":"CASSCF with Extremely Large Active Spaces using the Adaptive Sampling Configuration Interaction Method"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1912.08379","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":"sha256:1911c1ca7b119cde9b66d41063c6a19f59661754584882258ef51a5c22125d77","target":"record","created_at":"2026-07-05T03:42:36Z","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":"0280263a37f65cb6603a26fab1d6dfb53126ff4576ea0653c6c9b7f62d119624","cross_cats_sorted":["cond-mat.str-el","physics.atm-clus","physics.chem-ph","quant-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2019-12-18T05:02:01Z","title_canon_sha256":"4318202b0edacdc370040058bdbff207e1da5093fb80bf80b7413c1c53c95b28"},"schema_version":"1.0","source":{"id":"1912.08379","kind":"arxiv","version":2}},"canonical_sha256":"072f8a05f2c9a608675e6a8ed07c1ea9c196ecfbadbeb6bc498d95580c2102d8","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"072f8a05f2c9a608675e6a8ed07c1ea9c196ecfbadbeb6bc498d95580c2102d8","first_computed_at":"2026-07-05T03:42:36.848323Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T03:42:36.848323Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"wJyPIBvtlfGLjwaQCi5sWpk5SQLwNeGgHNMw0UgbSg9xj2rOEDGtJRoZ750a+Y2d3+ZuDOEy0XBGPtQ7U1RnCw==","signature_status":"signed_v1","signed_at":"2026-07-05T03:42:36.848674Z","signed_message":"canonical_sha256_bytes"},"source_id":"1912.08379","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:1911c1ca7b119cde9b66d41063c6a19f59661754584882258ef51a5c22125d77","sha256:1b5e0d2c3b815bb8fbd08378eb364dd47dacc1b60600596793c1049a55aa2994"],"state_sha256":"0efeb226f6848a2b54f4544b5e34730727923ac79fcc28f8527b63a4b170e40e"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"Zi7nQwj4mX84kSnCU/wrbY4h4u9yGjFhRywLSoHb3SWMJQyHFWg0tQIvJGsJYSNpBDMHZKh0fxRyldV/m9PBCg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-14T12:25:37.299376Z","bundle_sha256":"0ea0ab4002557d111f612758a0ed520469247acb0de559af221fd9743ccd71b6"}}