{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2025:WHV5C23C55UXIAKZL33ZU6U763","short_pith_number":"pith:WHV5C23C","canonical_record":{"source":{"id":"2503.00617","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-03-01T20:52:48Z","cross_cats_sorted":[],"title_canon_sha256":"71bb38f81d93d99809a880fa899136badae140d581a0a17437c16b25e2530099","abstract_canon_sha256":"bbaa0a7b1fc8ace2e3031c77c5f3729d7e4464a682179d4616b284a8cfaf9549"},"schema_version":"1.0"},"canonical_sha256":"b1ebd16b62ef697401595ef79a7a9ff6f5d86e52812d286e783cff99b53eb944","source":{"kind":"arxiv","id":"2503.00617","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2503.00617","created_at":"2026-07-05T10:57:34Z"},{"alias_kind":"arxiv_version","alias_value":"2503.00617v2","created_at":"2026-07-05T10:57:34Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2503.00617","created_at":"2026-07-05T10:57:34Z"},{"alias_kind":"pith_short_12","alias_value":"WHV5C23C55UX","created_at":"2026-07-05T10:57:34Z"},{"alias_kind":"pith_short_16","alias_value":"WHV5C23C55UXIAKZ","created_at":"2026-07-05T10:57:34Z"},{"alias_kind":"pith_short_8","alias_value":"WHV5C23C","created_at":"2026-07-05T10:57:34Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2025:WHV5C23C55UXIAKZL33ZU6U763","target":"record","payload":{"canonical_record":{"source":{"id":"2503.00617","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-03-01T20:52:48Z","cross_cats_sorted":[],"title_canon_sha256":"71bb38f81d93d99809a880fa899136badae140d581a0a17437c16b25e2530099","abstract_canon_sha256":"bbaa0a7b1fc8ace2e3031c77c5f3729d7e4464a682179d4616b284a8cfaf9549"},"schema_version":"1.0"},"canonical_sha256":"b1ebd16b62ef697401595ef79a7a9ff6f5d86e52812d286e783cff99b53eb944","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T10:57:34.361564Z","signature_b64":"8JiZGHRkUNXl6WeB9Evi3upd7G/g1I0Aym8dGeKBwYfqFd/m+z7Ve0v0Qyc9Ags/eZOzS5i1hyMg38UqxXtFDw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"b1ebd16b62ef697401595ef79a7a9ff6f5d86e52812d286e783cff99b53eb944","last_reissued_at":"2026-07-05T10:57:34.361014Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T10:57:34.361014Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2503.00617","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":"2026-07-05T10:57:34Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"j5kz8IzYO6QLaZQw4ChuwNAqkRvdvBzYYecgyJFFgyO0anEhyqpIhizrF7VXyHOgEYij9Ng4oxWSfZpzA4AEBA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-16T09:09:45.010251Z"},"content_sha256":"10babae0c7264985f241e464d295f328bfe4655cdaf4a4502356811573cc4535","schema_version":"1.0","event_id":"sha256:10babae0c7264985f241e464d295f328bfe4655cdaf4a4502356811573cc4535"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2025:WHV5C23C55UXIAKZL33ZU6U763","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Comparing Perturbative and Commutator-Rank-Based Truncation Schemes in Unitary Coupled-Cluster Theory","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"A. Eugene DePrince III, Justin T. Phillips, Lauren N. Koulias, Stephen H. Yuwono","submitted_at":"2025-03-01T20:52:48Z","abstract_excerpt":"Unitary coupled cluster (UCC) theory offers a promising Hermitian alternative to conventional coupled cluster (CC) theory, but its practical implementation is hindered by the non-truncating nature of the Baker-Campbell-Hausdorff (BCH) expansion of the similarity-transformed Hamiltonian ($\\bar{H}$). To address this challenge, various truncation strategies have been developed to approximate $\\bar{H}$ in a compact and reliable manner. In this work, we compare the numerical performance of approximate UCC with single and double excitations (UCCSD) methods that employ many-body perturbation theory ("},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2503.00617","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/2503.00617/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":"2026-07-05T10:57:34Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"WCafdqU2tgcG/QI9WzeeMFenHR84EfQdg8ilrWPE/1kN21qM4bscdSpxjj3agXqq7pSuaKzQDEGdLwCCJTALDw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-16T09:09:45.011064Z"},"content_sha256":"56364e43f02150dd31f516da214ac32434c552d31a097157464ffc670d3eaed4","schema_version":"1.0","event_id":"sha256:56364e43f02150dd31f516da214ac32434c552d31a097157464ffc670d3eaed4"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/WHV5C23C55UXIAKZL33ZU6U763/bundle.json","state_url":"https://pith.science/pith/WHV5C23C55UXIAKZL33ZU6U763/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/WHV5C23C55UXIAKZL33ZU6U763/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":"2026-08-16T09:09:45Z","links":{"resolver":"https://pith.science/pith/WHV5C23C55UXIAKZL33ZU6U763","bundle":"https://pith.science/pith/WHV5C23C55UXIAKZL33ZU6U763/bundle.json","state":"https://pith.science/pith/WHV5C23C55UXIAKZL33ZU6U763/state.json","well_known_bundle":"https://pith.science/.well-known/pith/WHV5C23C55UXIAKZL33ZU6U763/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2025:WHV5C23C55UXIAKZL33ZU6U763","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":"bbaa0a7b1fc8ace2e3031c77c5f3729d7e4464a682179d4616b284a8cfaf9549","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-03-01T20:52:48Z","title_canon_sha256":"71bb38f81d93d99809a880fa899136badae140d581a0a17437c16b25e2530099"},"schema_version":"1.0","source":{"id":"2503.00617","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2503.00617","created_at":"2026-07-05T10:57:34Z"},{"alias_kind":"arxiv_version","alias_value":"2503.00617v2","created_at":"2026-07-05T10:57:34Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2503.00617","created_at":"2026-07-05T10:57:34Z"},{"alias_kind":"pith_short_12","alias_value":"WHV5C23C55UX","created_at":"2026-07-05T10:57:34Z"},{"alias_kind":"pith_short_16","alias_value":"WHV5C23C55UXIAKZ","created_at":"2026-07-05T10:57:34Z"},{"alias_kind":"pith_short_8","alias_value":"WHV5C23C","created_at":"2026-07-05T10:57:34Z"}],"graph_snapshots":[{"event_id":"sha256:56364e43f02150dd31f516da214ac32434c552d31a097157464ffc670d3eaed4","target":"graph","created_at":"2026-07-05T10:57:34Z","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/2503.00617/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Unitary coupled cluster (UCC) theory offers a promising Hermitian alternative to conventional coupled cluster (CC) theory, but its practical implementation is hindered by the non-truncating nature of the Baker-Campbell-Hausdorff (BCH) expansion of the similarity-transformed Hamiltonian ($\\bar{H}$). To address this challenge, various truncation strategies have been developed to approximate $\\bar{H}$ in a compact and reliable manner. In this work, we compare the numerical performance of approximate UCC with single and double excitations (UCCSD) methods that employ many-body perturbation theory (","authors_text":"A. Eugene DePrince III, Justin T. Phillips, Lauren N. Koulias, Stephen H. Yuwono","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-03-01T20:52:48Z","title":"Comparing Perturbative and Commutator-Rank-Based Truncation Schemes in Unitary Coupled-Cluster Theory"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2503.00617","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":"sha256:10babae0c7264985f241e464d295f328bfe4655cdaf4a4502356811573cc4535","target":"record","created_at":"2026-07-05T10:57:34Z","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":"bbaa0a7b1fc8ace2e3031c77c5f3729d7e4464a682179d4616b284a8cfaf9549","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-03-01T20:52:48Z","title_canon_sha256":"71bb38f81d93d99809a880fa899136badae140d581a0a17437c16b25e2530099"},"schema_version":"1.0","source":{"id":"2503.00617","kind":"arxiv","version":2}},"canonical_sha256":"b1ebd16b62ef697401595ef79a7a9ff6f5d86e52812d286e783cff99b53eb944","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"b1ebd16b62ef697401595ef79a7a9ff6f5d86e52812d286e783cff99b53eb944","first_computed_at":"2026-07-05T10:57:34.361014Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T10:57:34.361014Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"8JiZGHRkUNXl6WeB9Evi3upd7G/g1I0Aym8dGeKBwYfqFd/m+z7Ve0v0Qyc9Ags/eZOzS5i1hyMg38UqxXtFDw==","signature_status":"signed_v1","signed_at":"2026-07-05T10:57:34.361564Z","signed_message":"canonical_sha256_bytes"},"source_id":"2503.00617","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:10babae0c7264985f241e464d295f328bfe4655cdaf4a4502356811573cc4535","sha256:56364e43f02150dd31f516da214ac32434c552d31a097157464ffc670d3eaed4"],"state_sha256":"8cdb8279dcfd4e4008ca07d87db064506c6cfd317b58b66d7d780f17b94d0d4e"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"BEQ+734X+EXL+qU8Qn1/+aLJzeRWu0B6rFalpzV9gm+vGaVJbjVcebZzwQ/E1NxFL6xpaeARdXkt8lugt+XLAQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-16T09:09:45.017099Z","bundle_sha256":"c65f3143725b4752974964a4536f36c4b16031b783263b69a58da745883f4836"}}