{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2024:7GBKWCAADEVF27FWHNFXSG42NJ","short_pith_number":"pith:7GBKWCAA","canonical_record":{"source":{"id":"2408.03159","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"quant-ph","submitted_at":"2024-08-06T12:56:10Z","cross_cats_sorted":["physics.chem-ph"],"title_canon_sha256":"3dd42ef45730965c9a3516c61c775531f5655263d9e91af94767fecdca354252","abstract_canon_sha256":"c009ccf5a5a1843ce79dbf0f4697f2bb2931cf83b3cdc3029e3685fcef0047c9"},"schema_version":"1.0"},"canonical_sha256":"f982ab0800192a5d7cb63b4b791b9a6a6cb23f4ed3f32c10cc315803b8acef90","source":{"kind":"arxiv","id":"2408.03159","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2408.03159","created_at":"2026-07-05T11:52:13Z"},{"alias_kind":"arxiv_version","alias_value":"2408.03159v2","created_at":"2026-07-05T11:52:13Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2408.03159","created_at":"2026-07-05T11:52:13Z"},{"alias_kind":"pith_short_12","alias_value":"7GBKWCAADEVF","created_at":"2026-07-05T11:52:13Z"},{"alias_kind":"pith_short_16","alias_value":"7GBKWCAADEVF27FW","created_at":"2026-07-05T11:52:13Z"},{"alias_kind":"pith_short_8","alias_value":"7GBKWCAA","created_at":"2026-07-05T11:52:13Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2024:7GBKWCAADEVF27FWHNFXSG42NJ","target":"record","payload":{"canonical_record":{"source":{"id":"2408.03159","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"quant-ph","submitted_at":"2024-08-06T12:56:10Z","cross_cats_sorted":["physics.chem-ph"],"title_canon_sha256":"3dd42ef45730965c9a3516c61c775531f5655263d9e91af94767fecdca354252","abstract_canon_sha256":"c009ccf5a5a1843ce79dbf0f4697f2bb2931cf83b3cdc3029e3685fcef0047c9"},"schema_version":"1.0"},"canonical_sha256":"f982ab0800192a5d7cb63b4b791b9a6a6cb23f4ed3f32c10cc315803b8acef90","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T11:52:13.993511Z","signature_b64":"C9lSWFcxSsDCIVMMZ4Sibfk+QSGIuqrUPx/XmmlxgUj3jniyKhWmhthcvTSLKEDlOQ905aKghDjiSmu3wMFrCQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"f982ab0800192a5d7cb63b4b791b9a6a6cb23f4ed3f32c10cc315803b8acef90","last_reissued_at":"2026-07-05T11:52:13.993116Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T11:52:13.993116Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2408.03159","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":"2026-07-05T11:52:13Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"5EUxDglnhBQqn4kQS6q+WwGnrh/cnqvVGNmCJVrTgkj0T2+hy8Iq1a7jBbPDFoTLFVtot3okwEXF+nB6cx/JDQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-02T19:12:21.307131Z"},"content_sha256":"ec9a7178bf006e2c451269e8747b695e7ad8a88d33d4a900467cf33f178e6b34","schema_version":"1.0","event_id":"sha256:ec9a7178bf006e2c451269e8747b695e7ad8a88d33d4a900467cf33f178e6b34"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2024:7GBKWCAADEVF27FWHNFXSG42NJ","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Quantum Computation of Electronic Structure with Projector Augmented-Wave Method and Plane Wave Basis Set","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["physics.chem-ph"],"primary_cat":"quant-ph","authors_text":"Aleksei V. Ivanov, Andrew Patterson, Bjorn K. Berntson, Christoph S\\\"underhauf, Earl Campbell, Jens J{\\o}rgen Mortensen, Marius Bothe, Mikael Kuisma, R\\'obert Izs\\'ak","submitted_at":"2024-08-06T12:56:10Z","abstract_excerpt":"Quantum simulation of materials is a promising application area of quantum computers. To practically realize this promise, we must reduce quantum resources while maintaining accuracy. In electronic structure calculations on classical computers, resource reduction has been achieved by using the projector augmented-wave method (PAW) and plane wave basis sets. However, the PAW method generalized for many-body states introduces non-orthogonality effects which impede its direct application to quantum computing. In this work, we develop a unitary variant of the PAW (UPAW) that preserves the orthogon"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2408.03159","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/2408.03159/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":"2026-07-05T11:52:13Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"rCFyMlQC5pWclMPM8l4HWnX3kmYTWpGhMamCQRB6/cARRkyhGpR8bHSRZao5cFk7EAE+7oniCSZHg642Ci9MAA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-02T19:12:21.307653Z"},"content_sha256":"59cd82bf7f0272ef1ea56d45f2083cde3c64e21adbf6202550185ccc3a34a324","schema_version":"1.0","event_id":"sha256:59cd82bf7f0272ef1ea56d45f2083cde3c64e21adbf6202550185ccc3a34a324"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/7GBKWCAADEVF27FWHNFXSG42NJ/bundle.json","state_url":"https://pith.science/pith/7GBKWCAADEVF27FWHNFXSG42NJ/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/7GBKWCAADEVF27FWHNFXSG42NJ/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":"2026-08-02T19:12:21Z","links":{"resolver":"https://pith.science/pith/7GBKWCAADEVF27FWHNFXSG42NJ","bundle":"https://pith.science/pith/7GBKWCAADEVF27FWHNFXSG42NJ/bundle.json","state":"https://pith.science/pith/7GBKWCAADEVF27FWHNFXSG42NJ/state.json","well_known_bundle":"https://pith.science/.well-known/pith/7GBKWCAADEVF27FWHNFXSG42NJ/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2024:7GBKWCAADEVF27FWHNFXSG42NJ","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":"c009ccf5a5a1843ce79dbf0f4697f2bb2931cf83b3cdc3029e3685fcef0047c9","cross_cats_sorted":["physics.chem-ph"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"quant-ph","submitted_at":"2024-08-06T12:56:10Z","title_canon_sha256":"3dd42ef45730965c9a3516c61c775531f5655263d9e91af94767fecdca354252"},"schema_version":"1.0","source":{"id":"2408.03159","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2408.03159","created_at":"2026-07-05T11:52:13Z"},{"alias_kind":"arxiv_version","alias_value":"2408.03159v2","created_at":"2026-07-05T11:52:13Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2408.03159","created_at":"2026-07-05T11:52:13Z"},{"alias_kind":"pith_short_12","alias_value":"7GBKWCAADEVF","created_at":"2026-07-05T11:52:13Z"},{"alias_kind":"pith_short_16","alias_value":"7GBKWCAADEVF27FW","created_at":"2026-07-05T11:52:13Z"},{"alias_kind":"pith_short_8","alias_value":"7GBKWCAA","created_at":"2026-07-05T11:52:13Z"}],"graph_snapshots":[{"event_id":"sha256:59cd82bf7f0272ef1ea56d45f2083cde3c64e21adbf6202550185ccc3a34a324","target":"graph","created_at":"2026-07-05T11:52:13Z","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/2408.03159/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Quantum simulation of materials is a promising application area of quantum computers. To practically realize this promise, we must reduce quantum resources while maintaining accuracy. In electronic structure calculations on classical computers, resource reduction has been achieved by using the projector augmented-wave method (PAW) and plane wave basis sets. However, the PAW method generalized for many-body states introduces non-orthogonality effects which impede its direct application to quantum computing. In this work, we develop a unitary variant of the PAW (UPAW) that preserves the orthogon","authors_text":"Aleksei V. Ivanov, Andrew Patterson, Bjorn K. Berntson, Christoph S\\\"underhauf, Earl Campbell, Jens J{\\o}rgen Mortensen, Marius Bothe, Mikael Kuisma, R\\'obert Izs\\'ak","cross_cats":["physics.chem-ph"],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"quant-ph","submitted_at":"2024-08-06T12:56:10Z","title":"Quantum Computation of Electronic Structure with Projector Augmented-Wave Method and Plane Wave Basis Set"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2408.03159","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:ec9a7178bf006e2c451269e8747b695e7ad8a88d33d4a900467cf33f178e6b34","target":"record","created_at":"2026-07-05T11:52:13Z","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":"c009ccf5a5a1843ce79dbf0f4697f2bb2931cf83b3cdc3029e3685fcef0047c9","cross_cats_sorted":["physics.chem-ph"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"quant-ph","submitted_at":"2024-08-06T12:56:10Z","title_canon_sha256":"3dd42ef45730965c9a3516c61c775531f5655263d9e91af94767fecdca354252"},"schema_version":"1.0","source":{"id":"2408.03159","kind":"arxiv","version":2}},"canonical_sha256":"f982ab0800192a5d7cb63b4b791b9a6a6cb23f4ed3f32c10cc315803b8acef90","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"f982ab0800192a5d7cb63b4b791b9a6a6cb23f4ed3f32c10cc315803b8acef90","first_computed_at":"2026-07-05T11:52:13.993116Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T11:52:13.993116Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"C9lSWFcxSsDCIVMMZ4Sibfk+QSGIuqrUPx/XmmlxgUj3jniyKhWmhthcvTSLKEDlOQ905aKghDjiSmu3wMFrCQ==","signature_status":"signed_v1","signed_at":"2026-07-05T11:52:13.993511Z","signed_message":"canonical_sha256_bytes"},"source_id":"2408.03159","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:ec9a7178bf006e2c451269e8747b695e7ad8a88d33d4a900467cf33f178e6b34","sha256:59cd82bf7f0272ef1ea56d45f2083cde3c64e21adbf6202550185ccc3a34a324"],"state_sha256":"b0b9210a10a089267f692259d1ec189718e3962f1e3766d0462459483347804c"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"tln41XORnt0XuO6p7BB7KEvZTwPemiWgxVe9OEM+6DUS/gkNRQs+3Wxp9dAxmYzk6aYUAKQHb/3pJr6swSmWDw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-02T19:12:21.312985Z","bundle_sha256":"e773fb406e5966aab31d43be7f4ffd112086c8aab9c22d0f05f180115d696cb0"}}