{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2022:4BHQMUAK44A2QZEESLI2YLDAZ6","short_pith_number":"pith:4BHQMUAK","canonical_record":{"source":{"id":"2203.04952","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2022-03-09T18:57:09Z","cross_cats_sorted":[],"title_canon_sha256":"5278255f92c33fa699c5b07812ee7eb4f4765bec58a5fa4bd959342b17e9af32","abstract_canon_sha256":"2247ffda31f5c20a9ce07a824dd9928fa22483d2f776a83cadff6d04672f6cf3"},"schema_version":"1.0"},"canonical_sha256":"e04f06500ae701a8648492d1ac2c60cf91be0ba837a5aa6ccf277420adb5dd7c","source":{"kind":"arxiv","id":"2203.04952","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2203.04952","created_at":"2026-07-05T04:15:14Z"},{"alias_kind":"arxiv_version","alias_value":"2203.04952v1","created_at":"2026-07-05T04:15:14Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2203.04952","created_at":"2026-07-05T04:15:14Z"},{"alias_kind":"pith_short_12","alias_value":"4BHQMUAK44A2","created_at":"2026-07-05T04:15:14Z"},{"alias_kind":"pith_short_16","alias_value":"4BHQMUAK44A2QZEE","created_at":"2026-07-05T04:15:14Z"},{"alias_kind":"pith_short_8","alias_value":"4BHQMUAK","created_at":"2026-07-05T04:15:14Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2022:4BHQMUAK44A2QZEESLI2YLDAZ6","target":"record","payload":{"canonical_record":{"source":{"id":"2203.04952","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2022-03-09T18:57:09Z","cross_cats_sorted":[],"title_canon_sha256":"5278255f92c33fa699c5b07812ee7eb4f4765bec58a5fa4bd959342b17e9af32","abstract_canon_sha256":"2247ffda31f5c20a9ce07a824dd9928fa22483d2f776a83cadff6d04672f6cf3"},"schema_version":"1.0"},"canonical_sha256":"e04f06500ae701a8648492d1ac2c60cf91be0ba837a5aa6ccf277420adb5dd7c","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T04:15:14.664577Z","signature_b64":"lSHiamhfRnNuRt6Do24I/sr5OYeT68wjQM27IiSOWp32YIpMmG7ua1duJ9wEqADl6pCIXEct6jt39+NslQwmAg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"e04f06500ae701a8648492d1ac2c60cf91be0ba837a5aa6ccf277420adb5dd7c","last_reissued_at":"2026-07-05T04:15:14.664049Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T04:15:14.664049Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2203.04952","source_version":1,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T04:15:14Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"8Ip1OIFjRT0pIt1szbNCqaDOFka3rR9JPm8jGWaA4vlb2TZ3DYzn43OVjs1y+SsuOZOGxt0RJ0+p9Tot+gIvDA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-07T13:09:23.861031Z"},"content_sha256":"7ac6f34b099cdb560af40d4fe714131566a2799a08ed1897405dd76960863a74","schema_version":"1.0","event_id":"sha256:7ac6f34b099cdb560af40d4fe714131566a2799a08ed1897405dd76960863a74"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2022:4BHQMUAK44A2QZEESLI2YLDAZ6","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Semiclassical Real-Time Nuclear-Electronic Orbital Dynamics for Molecular Polaritons: Unified Theory of Electronic and Vibrational Strong Couplings","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, Zhen Tao","submitted_at":"2022-03-09T18:57:09Z","abstract_excerpt":"Molecular polaritons have become an emerging platform for remotely controlling molecular properties through strong light-matter interactions. Herein, a semiclassical approach is developed for describing molecular polaritons by self-consistently propagating the real-time dynamics of classical cavity modes and a quantum molecular subsystem described by the nuclear-electronic orbital (NEO) method, where electrons and specified nuclei are treated quantum mechanically on the same level. This semiclassical real-time NEO approach provides a unified description of electronic and vibrational strong cou"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2203.04952","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/2203.04952/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":"2026-07-05T04:15:14Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"I4qK1VaVvE/BaNRA1DYgXN3ac3ADvYpDZRTSQZGpSh794cLoSUOBK4G7ykcQW964JgKhIO9rjPGl/p5VskiQBQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-07T13:09:23.861426Z"},"content_sha256":"b319f20a69b5ed16702a660d6f96fe5c26490a1aa57a9baad7c572efda16eb7b","schema_version":"1.0","event_id":"sha256:b319f20a69b5ed16702a660d6f96fe5c26490a1aa57a9baad7c572efda16eb7b"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/4BHQMUAK44A2QZEESLI2YLDAZ6/bundle.json","state_url":"https://pith.science/pith/4BHQMUAK44A2QZEESLI2YLDAZ6/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/4BHQMUAK44A2QZEESLI2YLDAZ6/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":"2026-07-07T13:09:23Z","links":{"resolver":"https://pith.science/pith/4BHQMUAK44A2QZEESLI2YLDAZ6","bundle":"https://pith.science/pith/4BHQMUAK44A2QZEESLI2YLDAZ6/bundle.json","state":"https://pith.science/pith/4BHQMUAK44A2QZEESLI2YLDAZ6/state.json","well_known_bundle":"https://pith.science/.well-known/pith/4BHQMUAK44A2QZEESLI2YLDAZ6/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2022:4BHQMUAK44A2QZEESLI2YLDAZ6","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":"2247ffda31f5c20a9ce07a824dd9928fa22483d2f776a83cadff6d04672f6cf3","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2022-03-09T18:57:09Z","title_canon_sha256":"5278255f92c33fa699c5b07812ee7eb4f4765bec58a5fa4bd959342b17e9af32"},"schema_version":"1.0","source":{"id":"2203.04952","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2203.04952","created_at":"2026-07-05T04:15:14Z"},{"alias_kind":"arxiv_version","alias_value":"2203.04952v1","created_at":"2026-07-05T04:15:14Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2203.04952","created_at":"2026-07-05T04:15:14Z"},{"alias_kind":"pith_short_12","alias_value":"4BHQMUAK44A2","created_at":"2026-07-05T04:15:14Z"},{"alias_kind":"pith_short_16","alias_value":"4BHQMUAK44A2QZEE","created_at":"2026-07-05T04:15:14Z"},{"alias_kind":"pith_short_8","alias_value":"4BHQMUAK","created_at":"2026-07-05T04:15:14Z"}],"graph_snapshots":[{"event_id":"sha256:b319f20a69b5ed16702a660d6f96fe5c26490a1aa57a9baad7c572efda16eb7b","target":"graph","created_at":"2026-07-05T04:15:14Z","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/2203.04952/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Molecular polaritons have become an emerging platform for remotely controlling molecular properties through strong light-matter interactions. Herein, a semiclassical approach is developed for describing molecular polaritons by self-consistently propagating the real-time dynamics of classical cavity modes and a quantum molecular subsystem described by the nuclear-electronic orbital (NEO) method, where electrons and specified nuclei are treated quantum mechanically on the same level. This semiclassical real-time NEO approach provides a unified description of electronic and vibrational strong cou","authors_text":"Sharon Hammes-Schiffer, Tao E. Li, Zhen Tao","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2022-03-09T18:57:09Z","title":"Semiclassical Real-Time Nuclear-Electronic Orbital Dynamics for Molecular Polaritons: Unified Theory of Electronic and Vibrational Strong Couplings"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2203.04952","kind":"arxiv","version":1},"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":"sha256:7ac6f34b099cdb560af40d4fe714131566a2799a08ed1897405dd76960863a74","target":"record","created_at":"2026-07-05T04:15:14Z","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":"2247ffda31f5c20a9ce07a824dd9928fa22483d2f776a83cadff6d04672f6cf3","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2022-03-09T18:57:09Z","title_canon_sha256":"5278255f92c33fa699c5b07812ee7eb4f4765bec58a5fa4bd959342b17e9af32"},"schema_version":"1.0","source":{"id":"2203.04952","kind":"arxiv","version":1}},"canonical_sha256":"e04f06500ae701a8648492d1ac2c60cf91be0ba837a5aa6ccf277420adb5dd7c","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"e04f06500ae701a8648492d1ac2c60cf91be0ba837a5aa6ccf277420adb5dd7c","first_computed_at":"2026-07-05T04:15:14.664049Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T04:15:14.664049Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"lSHiamhfRnNuRt6Do24I/sr5OYeT68wjQM27IiSOWp32YIpMmG7ua1duJ9wEqADl6pCIXEct6jt39+NslQwmAg==","signature_status":"signed_v1","signed_at":"2026-07-05T04:15:14.664577Z","signed_message":"canonical_sha256_bytes"},"source_id":"2203.04952","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:7ac6f34b099cdb560af40d4fe714131566a2799a08ed1897405dd76960863a74","sha256:b319f20a69b5ed16702a660d6f96fe5c26490a1aa57a9baad7c572efda16eb7b"],"state_sha256":"3357a7d479a164630c02cb926ef81014e86e19516fbec802c5c2ed149f2993ea"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"9HOEd3/ggsYKEakYEoQPJmSQsLLBH09Rjli2PVwJ/LQAuaHW4IlzVh15OFtRHbXCO7Ci1GGj6x9z/2tunNXaAg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-07-07T13:09:23.863422Z","bundle_sha256":"63408491efa2b0ce99f9871e73fcc78e6c5272e2028f6ce24366ade9691f57cf"}}