{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2023:E3QHOJXTDWAOZ43T42HAKA2JZR","short_pith_number":"pith:E3QHOJXT","canonical_record":{"source":{"id":"2301.04076","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2023-01-10T17:01:14Z","cross_cats_sorted":[],"title_canon_sha256":"1421263568105f30be4992e05fa14d9694d1eca10fb44f4a6de8779311ea471d","abstract_canon_sha256":"4c6197581af4e17ec5cfedac5ec239264e83e65c84cbeadd86ad9acbfbd13da4"},"schema_version":"1.0"},"canonical_sha256":"26e07726f31d80ecf373e68e050349cc4e646c0c199a01f5c938d0e628a2b47a","source":{"kind":"arxiv","id":"2301.04076","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2301.04076","created_at":"2026-07-05T05:53:11Z"},{"alias_kind":"arxiv_version","alias_value":"2301.04076v2","created_at":"2026-07-05T05:53:11Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2301.04076","created_at":"2026-07-05T05:53:11Z"},{"alias_kind":"pith_short_12","alias_value":"E3QHOJXTDWAO","created_at":"2026-07-05T05:53:11Z"},{"alias_kind":"pith_short_16","alias_value":"E3QHOJXTDWAOZ43T","created_at":"2026-07-05T05:53:11Z"},{"alias_kind":"pith_short_8","alias_value":"E3QHOJXT","created_at":"2026-07-05T05:53:11Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2023:E3QHOJXTDWAOZ43T42HAKA2JZR","target":"record","payload":{"canonical_record":{"source":{"id":"2301.04076","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2023-01-10T17:01:14Z","cross_cats_sorted":[],"title_canon_sha256":"1421263568105f30be4992e05fa14d9694d1eca10fb44f4a6de8779311ea471d","abstract_canon_sha256":"4c6197581af4e17ec5cfedac5ec239264e83e65c84cbeadd86ad9acbfbd13da4"},"schema_version":"1.0"},"canonical_sha256":"26e07726f31d80ecf373e68e050349cc4e646c0c199a01f5c938d0e628a2b47a","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T05:53:11.832528Z","signature_b64":"KYvmXMwhrN+Hx20K8frT8rkqRKN9OhC9PcqSGHoeyU0IjgkZDBjF/8b9T+zovjsUGBgLu8oI4e9F1tI5cBZCDw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"26e07726f31d80ecf373e68e050349cc4e646c0c199a01f5c938d0e628a2b47a","last_reissued_at":"2026-07-05T05:53:11.832110Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T05:53:11.832110Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2301.04076","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":"2026-07-05T05:53:11Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"K5pjirkc5Z824fScEJDcX+iSnZ5CiPauC1JKHH8HgJ6V8IkfwGsmWGryHKP/FZysVViANelO5DqEdBcn/75EDw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-07T12:25:14.042109Z"},"content_sha256":"626ed24cd53c57f9efaca48a89f45f71008cf7522b059ea8a074c5912e8943bf","schema_version":"1.0","event_id":"sha256:626ed24cd53c57f9efaca48a89f45f71008cf7522b059ea8a074c5912e8943bf"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2023:E3QHOJXTDWAOZ43T42HAKA2JZR","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Electronic Born-Oppenheimer Approximation in Nuclear-Electronic Orbital Dynamics","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Sharon Hammes-Schiffer, Tao E. Li","submitted_at":"2023-01-10T17:01:14Z","abstract_excerpt":"Within the nuclear-electronic orbital (NEO) framework, the real-time NEO time-dependent density functional theory (RT-NEO-TDDFT) approach enables the simulation of coupled electronic-nuclear dynamics. In this approach, the electrons and quantum nuclei are propagated in time on the same footing. A relatively small time step is required to propagate the much faster electronic dynamics, thereby prohibiting the simulation of long-time nuclear quantum dynamics. Herein, the electronic Born--Oppenheimer (BO) approximation within the NEO framework is presented. In this approach, the electronic density"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2301.04076","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/2301.04076/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":"2026-07-05T05:53:11Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"Djs6qHpTUTDH9K+6533SOcEMc2b30GLSYWK09v+7mAHch3D1p+xeBM+oAfFJpPQusFAo20oJKnKxoQMOdKWrAA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-07T12:25:14.042489Z"},"content_sha256":"1fa6a18013a64b16bff3d453e2caebabdd8b0fe87810d386f7b11d509039ba94","schema_version":"1.0","event_id":"sha256:1fa6a18013a64b16bff3d453e2caebabdd8b0fe87810d386f7b11d509039ba94"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/E3QHOJXTDWAOZ43T42HAKA2JZR/bundle.json","state_url":"https://pith.science/pith/E3QHOJXTDWAOZ43T42HAKA2JZR/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/E3QHOJXTDWAOZ43T42HAKA2JZR/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":"2026-07-07T12:25:14Z","links":{"resolver":"https://pith.science/pith/E3QHOJXTDWAOZ43T42HAKA2JZR","bundle":"https://pith.science/pith/E3QHOJXTDWAOZ43T42HAKA2JZR/bundle.json","state":"https://pith.science/pith/E3QHOJXTDWAOZ43T42HAKA2JZR/state.json","well_known_bundle":"https://pith.science/.well-known/pith/E3QHOJXTDWAOZ43T42HAKA2JZR/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2023:E3QHOJXTDWAOZ43T42HAKA2JZR","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":"4c6197581af4e17ec5cfedac5ec239264e83e65c84cbeadd86ad9acbfbd13da4","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2023-01-10T17:01:14Z","title_canon_sha256":"1421263568105f30be4992e05fa14d9694d1eca10fb44f4a6de8779311ea471d"},"schema_version":"1.0","source":{"id":"2301.04076","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2301.04076","created_at":"2026-07-05T05:53:11Z"},{"alias_kind":"arxiv_version","alias_value":"2301.04076v2","created_at":"2026-07-05T05:53:11Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2301.04076","created_at":"2026-07-05T05:53:11Z"},{"alias_kind":"pith_short_12","alias_value":"E3QHOJXTDWAO","created_at":"2026-07-05T05:53:11Z"},{"alias_kind":"pith_short_16","alias_value":"E3QHOJXTDWAOZ43T","created_at":"2026-07-05T05:53:11Z"},{"alias_kind":"pith_short_8","alias_value":"E3QHOJXT","created_at":"2026-07-05T05:53:11Z"}],"graph_snapshots":[{"event_id":"sha256:1fa6a18013a64b16bff3d453e2caebabdd8b0fe87810d386f7b11d509039ba94","target":"graph","created_at":"2026-07-05T05:53:11Z","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/2301.04076/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Within the nuclear-electronic orbital (NEO) framework, the real-time NEO time-dependent density functional theory (RT-NEO-TDDFT) approach enables the simulation of coupled electronic-nuclear dynamics. In this approach, the electrons and quantum nuclei are propagated in time on the same footing. A relatively small time step is required to propagate the much faster electronic dynamics, thereby prohibiting the simulation of long-time nuclear quantum dynamics. Herein, the electronic Born--Oppenheimer (BO) approximation within the NEO framework is presented. In this approach, the electronic density","authors_text":"Sharon Hammes-Schiffer, Tao E. Li","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2023-01-10T17:01:14Z","title":"Electronic Born-Oppenheimer Approximation in Nuclear-Electronic Orbital Dynamics"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2301.04076","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":"sha256:626ed24cd53c57f9efaca48a89f45f71008cf7522b059ea8a074c5912e8943bf","target":"record","created_at":"2026-07-05T05:53:11Z","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":"4c6197581af4e17ec5cfedac5ec239264e83e65c84cbeadd86ad9acbfbd13da4","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2023-01-10T17:01:14Z","title_canon_sha256":"1421263568105f30be4992e05fa14d9694d1eca10fb44f4a6de8779311ea471d"},"schema_version":"1.0","source":{"id":"2301.04076","kind":"arxiv","version":2}},"canonical_sha256":"26e07726f31d80ecf373e68e050349cc4e646c0c199a01f5c938d0e628a2b47a","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"26e07726f31d80ecf373e68e050349cc4e646c0c199a01f5c938d0e628a2b47a","first_computed_at":"2026-07-05T05:53:11.832110Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T05:53:11.832110Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"KYvmXMwhrN+Hx20K8frT8rkqRKN9OhC9PcqSGHoeyU0IjgkZDBjF/8b9T+zovjsUGBgLu8oI4e9F1tI5cBZCDw==","signature_status":"signed_v1","signed_at":"2026-07-05T05:53:11.832528Z","signed_message":"canonical_sha256_bytes"},"source_id":"2301.04076","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:626ed24cd53c57f9efaca48a89f45f71008cf7522b059ea8a074c5912e8943bf","sha256:1fa6a18013a64b16bff3d453e2caebabdd8b0fe87810d386f7b11d509039ba94"],"state_sha256":"3bace1650b747e05e98ea0ef0e3dd2f01ec044d7b3ea4a62ba13cb31d4f5f041"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"PSE628UjXP6PImezwZXT1q/BKZvR9mqKSv4gQyf9dcoisaoG6xofHzeUkgBWKmznIAQt2tW1pZ64gC46I74fAQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-07-07T12:25:14.044398Z","bundle_sha256":"be0a5358a8986f14b25f5d578e4b4419edb1e6fe88e395ae05d77a43ceff779c"}}