{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2018:HEQLGNJOBQQ7DWM4CR6GUNGH3J","short_pith_number":"pith:HEQLGNJO","canonical_record":{"source":{"id":"1803.11360","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-03-30T06:45:41Z","cross_cats_sorted":[],"title_canon_sha256":"a20e6c691b851f87349c8b8e4e07e010ade5130804b41ce0b25e34205226dbcf","abstract_canon_sha256":"38654a4a2e201dc3027b8627bd531a7d75f6b49ba0e95b29973edcc219ee1017"},"schema_version":"1.0"},"canonical_sha256":"3920b3352e0c21f1d99c147c6a34c7da5cfe61dab656078433ea39f0e1873643","source":{"kind":"arxiv","id":"1803.11360","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1803.11360","created_at":"2026-05-18T00:19:43Z"},{"alias_kind":"arxiv_version","alias_value":"1803.11360v1","created_at":"2026-05-18T00:19:43Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1803.11360","created_at":"2026-05-18T00:19:43Z"},{"alias_kind":"pith_short_12","alias_value":"HEQLGNJOBQQ7","created_at":"2026-05-18T12:32:28Z"},{"alias_kind":"pith_short_16","alias_value":"HEQLGNJOBQQ7DWM4","created_at":"2026-05-18T12:32:28Z"},{"alias_kind":"pith_short_8","alias_value":"HEQLGNJO","created_at":"2026-05-18T12:32:28Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2018:HEQLGNJOBQQ7DWM4CR6GUNGH3J","target":"record","payload":{"canonical_record":{"source":{"id":"1803.11360","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-03-30T06:45:41Z","cross_cats_sorted":[],"title_canon_sha256":"a20e6c691b851f87349c8b8e4e07e010ade5130804b41ce0b25e34205226dbcf","abstract_canon_sha256":"38654a4a2e201dc3027b8627bd531a7d75f6b49ba0e95b29973edcc219ee1017"},"schema_version":"1.0"},"canonical_sha256":"3920b3352e0c21f1d99c147c6a34c7da5cfe61dab656078433ea39f0e1873643","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T00:19:43.920049Z","signature_b64":"fUpE+5ou2i0MAIk8sBxBOFrKLG0UXnl29Y5dM9nb9IAOvnRvxH0nRzptWn1fNcyMz2jG3Zagf+wXWwMpzAiRAg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"3920b3352e0c21f1d99c147c6a34c7da5cfe61dab656078433ea39f0e1873643","last_reissued_at":"2026-05-18T00:19:43.919335Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T00:19:43.919335Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1803.11360","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":"2026-05-18T00:19:43Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"IDdSzoxdGOoy6tCpsMtSHQYgWOrzEau5g5sR1Jpit8DWvOzALcgiVd6hs+gWIHKY2vepdQKvGK3is9xOwfTvBg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-26T15:26:49.904768Z"},"content_sha256":"d3741046b0ec0bdf7cac91347bb0902e961dd7e6b8290653626a5cf3c6c8f630","schema_version":"1.0","event_id":"sha256:d3741046b0ec0bdf7cac91347bb0902e961dd7e6b8290653626a5cf3c6c8f630"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2018:HEQLGNJOBQQ7DWM4CR6GUNGH3J","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Interstate Vibronic Coupling Constants Between Electronic Excited States for Complex Molecules","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Chantal Daniel, Etienne Gindensperger, Felix Plasser, Maria Fumanal, Sebastian Mai","submitted_at":"2018-03-30T06:45:41Z","abstract_excerpt":"In the construction of diabatic vibronic Hamiltonians for quantum dynamics in the excited-state manifold of molecules, the coupling constants are often extracted solely from information on the excited-state energies. Here, a new protocol is applied to get access to the interstate vibronic coupling constants at the time-dependent density functional theory level through the overlap integrals between excited-state adiabatic auxiliary wavefunctions. We discuss the advantages of such method and its potential for future applications to address complex systems, in particular those where multiple elec"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1803.11360","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":""},"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":"2026-05-18T00:19:43Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"r0DkBG9jklx2snuy6k5mK5vSm1HoBrugbaxQnCjOand+Yj16hu0Ye5WI7VXoD3mDC9Wn7NFRb7D2Vhkk8TYICQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-26T15:26:49.905119Z"},"content_sha256":"de01a08d77a6cf14127de285bf4a1d0da2c47b2d7e5c85a6aa6307ecde1a3c1a","schema_version":"1.0","event_id":"sha256:de01a08d77a6cf14127de285bf4a1d0da2c47b2d7e5c85a6aa6307ecde1a3c1a"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/HEQLGNJOBQQ7DWM4CR6GUNGH3J/bundle.json","state_url":"https://pith.science/pith/HEQLGNJOBQQ7DWM4CR6GUNGH3J/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/HEQLGNJOBQQ7DWM4CR6GUNGH3J/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":"2026-05-26T15:26:49Z","links":{"resolver":"https://pith.science/pith/HEQLGNJOBQQ7DWM4CR6GUNGH3J","bundle":"https://pith.science/pith/HEQLGNJOBQQ7DWM4CR6GUNGH3J/bundle.json","state":"https://pith.science/pith/HEQLGNJOBQQ7DWM4CR6GUNGH3J/state.json","well_known_bundle":"https://pith.science/.well-known/pith/HEQLGNJOBQQ7DWM4CR6GUNGH3J/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2018:HEQLGNJOBQQ7DWM4CR6GUNGH3J","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":"38654a4a2e201dc3027b8627bd531a7d75f6b49ba0e95b29973edcc219ee1017","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-03-30T06:45:41Z","title_canon_sha256":"a20e6c691b851f87349c8b8e4e07e010ade5130804b41ce0b25e34205226dbcf"},"schema_version":"1.0","source":{"id":"1803.11360","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1803.11360","created_at":"2026-05-18T00:19:43Z"},{"alias_kind":"arxiv_version","alias_value":"1803.11360v1","created_at":"2026-05-18T00:19:43Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1803.11360","created_at":"2026-05-18T00:19:43Z"},{"alias_kind":"pith_short_12","alias_value":"HEQLGNJOBQQ7","created_at":"2026-05-18T12:32:28Z"},{"alias_kind":"pith_short_16","alias_value":"HEQLGNJOBQQ7DWM4","created_at":"2026-05-18T12:32:28Z"},{"alias_kind":"pith_short_8","alias_value":"HEQLGNJO","created_at":"2026-05-18T12:32:28Z"}],"graph_snapshots":[{"event_id":"sha256:de01a08d77a6cf14127de285bf4a1d0da2c47b2d7e5c85a6aa6307ecde1a3c1a","target":"graph","created_at":"2026-05-18T00:19:43Z","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"},"paper":{"abstract_excerpt":"In the construction of diabatic vibronic Hamiltonians for quantum dynamics in the excited-state manifold of molecules, the coupling constants are often extracted solely from information on the excited-state energies. Here, a new protocol is applied to get access to the interstate vibronic coupling constants at the time-dependent density functional theory level through the overlap integrals between excited-state adiabatic auxiliary wavefunctions. We discuss the advantages of such method and its potential for future applications to address complex systems, in particular those where multiple elec","authors_text":"Chantal Daniel, Etienne Gindensperger, Felix Plasser, Maria Fumanal, Sebastian Mai","cross_cats":[],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-03-30T06:45:41Z","title":"Interstate Vibronic Coupling Constants Between Electronic Excited States for Complex Molecules"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1803.11360","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:d3741046b0ec0bdf7cac91347bb0902e961dd7e6b8290653626a5cf3c6c8f630","target":"record","created_at":"2026-05-18T00:19:43Z","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":"38654a4a2e201dc3027b8627bd531a7d75f6b49ba0e95b29973edcc219ee1017","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-03-30T06:45:41Z","title_canon_sha256":"a20e6c691b851f87349c8b8e4e07e010ade5130804b41ce0b25e34205226dbcf"},"schema_version":"1.0","source":{"id":"1803.11360","kind":"arxiv","version":1}},"canonical_sha256":"3920b3352e0c21f1d99c147c6a34c7da5cfe61dab656078433ea39f0e1873643","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"3920b3352e0c21f1d99c147c6a34c7da5cfe61dab656078433ea39f0e1873643","first_computed_at":"2026-05-18T00:19:43.919335Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T00:19:43.919335Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"fUpE+5ou2i0MAIk8sBxBOFrKLG0UXnl29Y5dM9nb9IAOvnRvxH0nRzptWn1fNcyMz2jG3Zagf+wXWwMpzAiRAg==","signature_status":"signed_v1","signed_at":"2026-05-18T00:19:43.920049Z","signed_message":"canonical_sha256_bytes"},"source_id":"1803.11360","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:d3741046b0ec0bdf7cac91347bb0902e961dd7e6b8290653626a5cf3c6c8f630","sha256:de01a08d77a6cf14127de285bf4a1d0da2c47b2d7e5c85a6aa6307ecde1a3c1a"],"state_sha256":"1411603a07f5a6841157136ac082ad92c1e17688c4b0dec68174e048c061db5c"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"t7W5TpJr6U9w9Cbk7dh9uHqAroy/QZNdbKU7lIykWwHb5GyK0tkKABZ0y3lyd1rJ9cXPvCa9zOvZCbAtcw5cAQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-05-26T15:26:49.907414Z","bundle_sha256":"6596a35adbe66ee48d85f4b3bdd231a3e54aba1a741345a6261401fa01718d36"}}