{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2019:IYB72TINB52D3SKGIS2RUYIQKG","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":"f4d5f5161db4584c8ea3c35f7c675769f728ad980024a59c1ad082b5e7d43164","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"quant-ph","submitted_at":"2019-05-09T16:37:24Z","title_canon_sha256":"e1cbfb21519ec17767be14e0f1bdb0551b3fc5011915b114746eb3d934964a29"},"schema_version":"1.0","source":{"id":"1905.03742","kind":"arxiv","version":3}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1905.03742","created_at":"2026-07-05T01:13:53Z"},{"alias_kind":"arxiv_version","alias_value":"1905.03742v3","created_at":"2026-07-05T01:13:53Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1905.03742","created_at":"2026-07-05T01:13:53Z"},{"alias_kind":"pith_short_12","alias_value":"IYB72TINB52D","created_at":"2026-07-05T01:13:53Z"},{"alias_kind":"pith_short_16","alias_value":"IYB72TINB52D3SKG","created_at":"2026-07-05T01:13:53Z"},{"alias_kind":"pith_short_8","alias_value":"IYB72TIN","created_at":"2026-07-05T01:13:53Z"}],"graph_snapshots":[{"event_id":"sha256:22b823b913bd74bbaae81e5021e31094c9799adafb3e4df5e9af6678cfb57f53","target":"graph","created_at":"2026-07-05T01:13:53Z","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/1905.03742/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Modeling chemical reactions and complicated molecular systems has been proposed as the `killer application' of a future quantum computer. Accurate calculations of derivatives of molecular eigenenergies are essential towards this end, allowing for geometry optimization, transition state searches, predictions of the response to an applied electric or magnetic field, and molecular dynamics simulations. In this work, we survey methods to calculate energy derivatives, and present two new methods: one based on quantum phase estimation, the other on a low-order response approximation. We calculate as","authors_text":"A. Dutkiewicz, B. Senjean, F. Buda, L. DiCarlo, L. Visscher, R. Sagastizabal, T.E. O'Brien, X. Bonet-Monroig","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"quant-ph","submitted_at":"2019-05-09T16:37:24Z","title":"Calculating energy derivatives for quantum chemistry on a quantum computer"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1905.03742","kind":"arxiv","version":3},"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":"sha256:767d91849e0ca06f14df704a86fb779268214294be21b5a6cbf1d371069f9ac7","target":"record","created_at":"2026-07-05T01:13:53Z","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":"f4d5f5161db4584c8ea3c35f7c675769f728ad980024a59c1ad082b5e7d43164","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"quant-ph","submitted_at":"2019-05-09T16:37:24Z","title_canon_sha256":"e1cbfb21519ec17767be14e0f1bdb0551b3fc5011915b114746eb3d934964a29"},"schema_version":"1.0","source":{"id":"1905.03742","kind":"arxiv","version":3}},"canonical_sha256":"4603fd4d0d0f743dc94644b51a6110519e877807da876bf89151eb03a3bbb9b4","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"4603fd4d0d0f743dc94644b51a6110519e877807da876bf89151eb03a3bbb9b4","first_computed_at":"2026-07-05T01:13:53.017546Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T01:13:53.017546Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"f5FUiHuzDrQCYwdOWlaIWODpqOWQXFpvafhoNPR8W5fue/s6qeKVAHVQQJKR/UJN9iDUJzauuiEYhq2ObT9oAg==","signature_status":"signed_v1","signed_at":"2026-07-05T01:13:53.017896Z","signed_message":"canonical_sha256_bytes"},"source_id":"1905.03742","source_kind":"arxiv","source_version":3}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:767d91849e0ca06f14df704a86fb779268214294be21b5a6cbf1d371069f9ac7","sha256:22b823b913bd74bbaae81e5021e31094c9799adafb3e4df5e9af6678cfb57f53"],"state_sha256":"8858f9ee88371df4a44332b814298ccd4d228a321324a5473d24bd63e9ea64d1"}