{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2025:VGW7SI44YTCV54KNWEP45PMYED","short_pith_number":"pith:VGW7SI44","schema_version":"1.0","canonical_sha256":"a9adf9239cc4c55ef14db11fcebd9820e47a404a58f9daa089d7c98fd0b292ea","source":{"kind":"arxiv","id":"2506.06063","version":1},"attestation_state":"computed","paper":{"title":"Redundant parameter dependencies in truncated classic and quantum Linear Response and Equation of Motion theory","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["quant-ph"],"primary_cat":"physics.chem-ph","authors_text":"Erik Rosendahl Kjellgren, Jacob Kongsted, Karl Michael Ziems, Peter Reinholdt, Sonia Coriani, Stephan P. A. Sauer","submitted_at":"2025-06-06T13:18:34Z","abstract_excerpt":"Extracting molecular properties from a wave function can be done through the linear response (LR) formalism or, equivalently, the equation of motion (EOM) formalism. For a simple model system, He in a 6-31G basis, it is here shown that calculated excitation energies depend on the specifically chosen orbitals, even when the ground-state is the FCI solution, if the LR is truncated to a singles expansion. This holds for naive, projected, self-consistent, and state-transfer parametrizations of the LR operators. With a focus on the state-transfer parameterization, this problem is shown to also hold"},"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":"2506.06063","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2025-06-06T13:18:34Z","cross_cats_sorted":["quant-ph"],"title_canon_sha256":"cb59b1cad5b9c4372531b16abe77fda3e695cffc2da6044557eabedac56c7661","abstract_canon_sha256":"4156116500bee33d48c1a78808c96956c9d7eeac9e33ea102ca97c2536d37249"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T11:17:25.065256Z","signature_b64":"G0lqE6dzMT7nkqUOywxo0fiv7nDTCmlpOHgw7GDiAoTw0kJSfrONMb2FEYLAy/4uIb1zEivUCBNn1X0CPsuQAg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"a9adf9239cc4c55ef14db11fcebd9820e47a404a58f9daa089d7c98fd0b292ea","last_reissued_at":"2026-07-05T11:17:25.064750Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T11:17:25.064750Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Redundant parameter dependencies in truncated classic and quantum Linear Response and Equation of Motion theory","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["quant-ph"],"primary_cat":"physics.chem-ph","authors_text":"Erik Rosendahl Kjellgren, Jacob Kongsted, Karl Michael Ziems, Peter Reinholdt, Sonia Coriani, Stephan P. A. Sauer","submitted_at":"2025-06-06T13:18:34Z","abstract_excerpt":"Extracting molecular properties from a wave function can be done through the linear response (LR) formalism or, equivalently, the equation of motion (EOM) formalism. For a simple model system, He in a 6-31G basis, it is here shown that calculated excitation energies depend on the specifically chosen orbitals, even when the ground-state is the FCI solution, if the LR is truncated to a singles expansion. This holds for naive, projected, self-consistent, and state-transfer parametrizations of the LR operators. With a focus on the state-transfer parameterization, this problem is shown to also hold"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2506.06063","kind":"arxiv","version":1},"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/2506.06063/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":"2506.06063","created_at":"2026-07-05T11:17:25.064812+00:00"},{"alias_kind":"arxiv_version","alias_value":"2506.06063v1","created_at":"2026-07-05T11:17:25.064812+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2506.06063","created_at":"2026-07-05T11:17:25.064812+00:00"},{"alias_kind":"pith_short_12","alias_value":"VGW7SI44YTCV","created_at":"2026-07-05T11:17:25.064812+00:00"},{"alias_kind":"pith_short_16","alias_value":"VGW7SI44YTCV54KN","created_at":"2026-07-05T11:17:25.064812+00:00"},{"alias_kind":"pith_short_8","alias_value":"VGW7SI44","created_at":"2026-07-05T11:17:25.064812+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/VGW7SI44YTCV54KNWEP45PMYED","json":"https://pith.science/pith/VGW7SI44YTCV54KNWEP45PMYED.json","graph_json":"https://pith.science/api/pith-number/VGW7SI44YTCV54KNWEP45PMYED/graph.json","events_json":"https://pith.science/api/pith-number/VGW7SI44YTCV54KNWEP45PMYED/events.json","paper":"https://pith.science/paper/VGW7SI44"},"agent_actions":{"view_html":"https://pith.science/pith/VGW7SI44YTCV54KNWEP45PMYED","download_json":"https://pith.science/pith/VGW7SI44YTCV54KNWEP45PMYED.json","view_paper":"https://pith.science/paper/VGW7SI44","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=2506.06063&json=true","fetch_graph":"https://pith.science/api/pith-number/VGW7SI44YTCV54KNWEP45PMYED/graph.json","fetch_events":"https://pith.science/api/pith-number/VGW7SI44YTCV54KNWEP45PMYED/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/VGW7SI44YTCV54KNWEP45PMYED/action/timestamp_anchor","attest_storage":"https://pith.science/pith/VGW7SI44YTCV54KNWEP45PMYED/action/storage_attestation","attest_author":"https://pith.science/pith/VGW7SI44YTCV54KNWEP45PMYED/action/author_attestation","sign_citation":"https://pith.science/pith/VGW7SI44YTCV54KNWEP45PMYED/action/citation_signature","submit_replication":"https://pith.science/pith/VGW7SI44YTCV54KNWEP45PMYED/action/replication_record"}},"created_at":"2026-07-05T11:17:25.064812+00:00","updated_at":"2026-07-05T11:17:25.064812+00:00"}