{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2012:DWDZF6GPQMV5AHXOP5U2HRJ5A5","short_pith_number":"pith:DWDZF6GP","schema_version":"1.0","canonical_sha256":"1d8792f8cf832bd01eee7f69a3c53d0761c196621fa519f20a3c719405d8ecfd","source":{"kind":"arxiv","id":"1205.6181","version":2},"attestation_state":"computed","paper":{"title":"Non-adiabatic effects within a single thermally-averaged potential energy surface: Thermal expansion and reaction rates of small molecules","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"A. Castro, A. Rubio, D. Zueco, J. Clemente-Gallardo, J. J. Mazo, J. L. Alonso, P. Echenique, V. Polo","submitted_at":"2012-05-28T18:38:35Z","abstract_excerpt":"At non-zero temperature and when a system has low-lying excited electronic states, the ground-state Born--Oppenheimer approximation breaks down and the low-lying electronic states are involved in any chemical process. In this work, we use a temperature-dependent effective potential for the nuclei which can accomodate the influence of an arbitrary number of electronic states in a simple way, while at the same time producing the correct Boltzmann equibrium distribution for the electronic part. With the help of this effective potential, we show that thermally-activated low-lying electronic states"},"verification_status":{"content_addressed":true,"pith_receipt":true,"author_attested":false,"weak_author_claims":0,"strong_author_claims":0,"externally_anchored":false,"storage_verified":false,"citation_signatures":0,"replication_records":0,"graph_snapshot":true,"references_resolved":false,"formal_links_present":false},"canonical_record":{"source":{"id":"1205.6181","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2012-05-28T18:38:35Z","cross_cats_sorted":[],"title_canon_sha256":"4502dfbe8c31bbe22271149e86b9b2a88cd049366c47485b3cfb90d74c175991","abstract_canon_sha256":"19def019d271411b7a4d7256a8a40a0467f820b3081b371dd4ae53196365bb1c"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T03:46:06.784822Z","signature_b64":"UE1K8f7fpSFKfUhEc4+BAHSmhKSFE3tJ80ohZdjIAHKFBnhrqxQYdeuv+2oUVmZFsre6NrHO0vPIBvxppcpEDw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"1d8792f8cf832bd01eee7f69a3c53d0761c196621fa519f20a3c719405d8ecfd","last_reissued_at":"2026-05-18T03:46:06.784113Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T03:46:06.784113Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Non-adiabatic effects within a single thermally-averaged potential energy surface: Thermal expansion and reaction rates of small molecules","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"A. Castro, A. Rubio, D. Zueco, J. Clemente-Gallardo, J. J. Mazo, J. L. Alonso, P. Echenique, V. Polo","submitted_at":"2012-05-28T18:38:35Z","abstract_excerpt":"At non-zero temperature and when a system has low-lying excited electronic states, the ground-state Born--Oppenheimer approximation breaks down and the low-lying electronic states are involved in any chemical process. In this work, we use a temperature-dependent effective potential for the nuclei which can accomodate the influence of an arbitrary number of electronic states in a simple way, while at the same time producing the correct Boltzmann equibrium distribution for the electronic part. With the help of this effective potential, we show that thermally-activated low-lying electronic states"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1205.6181","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":""},"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"},"aliases":[{"alias_kind":"arxiv","alias_value":"1205.6181","created_at":"2026-05-18T03:46:06.784181+00:00"},{"alias_kind":"arxiv_version","alias_value":"1205.6181v2","created_at":"2026-05-18T03:46:06.784181+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1205.6181","created_at":"2026-05-18T03:46:06.784181+00:00"},{"alias_kind":"pith_short_12","alias_value":"DWDZF6GPQMV5","created_at":"2026-05-18T12:27:04.183437+00:00"},{"alias_kind":"pith_short_16","alias_value":"DWDZF6GPQMV5AHXO","created_at":"2026-05-18T12:27:04.183437+00:00"},{"alias_kind":"pith_short_8","alias_value":"DWDZF6GP","created_at":"2026-05-18T12:27:04.183437+00:00"}],"events":[],"event_summary":{},"paper_claims":[],"inbound_citations":{"count":0,"internal_anchor_count":0,"sample":[]},"formal_canon":{"evidence_count":0,"sample":[],"anchors":[]},"links":{"html":"https://pith.science/pith/DWDZF6GPQMV5AHXOP5U2HRJ5A5","json":"https://pith.science/pith/DWDZF6GPQMV5AHXOP5U2HRJ5A5.json","graph_json":"https://pith.science/api/pith-number/DWDZF6GPQMV5AHXOP5U2HRJ5A5/graph.json","events_json":"https://pith.science/api/pith-number/DWDZF6GPQMV5AHXOP5U2HRJ5A5/events.json","paper":"https://pith.science/paper/DWDZF6GP"},"agent_actions":{"view_html":"https://pith.science/pith/DWDZF6GPQMV5AHXOP5U2HRJ5A5","download_json":"https://pith.science/pith/DWDZF6GPQMV5AHXOP5U2HRJ5A5.json","view_paper":"https://pith.science/paper/DWDZF6GP","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=1205.6181&json=true","fetch_graph":"https://pith.science/api/pith-number/DWDZF6GPQMV5AHXOP5U2HRJ5A5/graph.json","fetch_events":"https://pith.science/api/pith-number/DWDZF6GPQMV5AHXOP5U2HRJ5A5/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/DWDZF6GPQMV5AHXOP5U2HRJ5A5/action/timestamp_anchor","attest_storage":"https://pith.science/pith/DWDZF6GPQMV5AHXOP5U2HRJ5A5/action/storage_attestation","attest_author":"https://pith.science/pith/DWDZF6GPQMV5AHXOP5U2HRJ5A5/action/author_attestation","sign_citation":"https://pith.science/pith/DWDZF6GPQMV5AHXOP5U2HRJ5A5/action/citation_signature","submit_replication":"https://pith.science/pith/DWDZF6GPQMV5AHXOP5U2HRJ5A5/action/replication_record"}},"created_at":"2026-05-18T03:46:06.784181+00:00","updated_at":"2026-05-18T03:46:06.784181+00:00"}