{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2012:4WNEPAK52LALUNX2BEUMU2VM6E","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":"573fcf2f4c492888756a62ab723c1af2c33419a3ee00b7b6344a066274c6a0c3","cross_cats_sorted":["physics.comp-ph","quant-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2012-06-27T15:13:06Z","title_canon_sha256":"9a5dabe8b1b1d10921e014328187058f4be6c9206f4f4bb8612af3746b4efa98"},"schema_version":"1.0","source":{"id":"1206.6299","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1206.6299","created_at":"2026-05-18T03:36:36Z"},{"alias_kind":"arxiv_version","alias_value":"1206.6299v1","created_at":"2026-05-18T03:36:36Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1206.6299","created_at":"2026-05-18T03:36:36Z"},{"alias_kind":"pith_short_12","alias_value":"4WNEPAK52LAL","created_at":"2026-05-18T12:26:53Z"},{"alias_kind":"pith_short_16","alias_value":"4WNEPAK52LALUNX2","created_at":"2026-05-18T12:26:53Z"},{"alias_kind":"pith_short_8","alias_value":"4WNEPAK5","created_at":"2026-05-18T12:26:53Z"}],"graph_snapshots":[{"event_id":"sha256:0bbfc2a766fc960405bcc68fd0d717ee7e221466ab380053b439e0b432ac915b","target":"graph","created_at":"2026-05-18T03:36:36Z","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":"We propose to measure the importance of spin-orbit couplings (SOCs) in the nonadiabatic molecular quantum dynamics rigorously with quantum fidelity. To make the criterion practical, quantum fidelity is estimated efficiently with the multiple-surface dephasing representation (MSDR). The MSDR is a semiclassical method that includes nuclear quantum effects through interference of mixed quantum-classical trajectories without the need for the Hessian of potential energy surfaces. Two variants of the MSDR are studied, in which the nuclei are propagated either with the fewest-switches surface hopping","authors_text":"Jiri Vanicek, Tomas Zimmermann","cross_cats":["physics.comp-ph","quant-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2012-06-27T15:13:06Z","title":"Evaluation of the importance of spin-orbit couplings in the nonadiabatic quantum dynamics with quantum fidelity and with its efficient \"on-the-fly\" ab initio semiclassical approximation"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1206.6299","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":"sha256:0a184d70e4367d8ba19a34b8db7b256dd2299026fe4799ef38f58e3566bd09fa","target":"record","created_at":"2026-05-18T03:36:36Z","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":"573fcf2f4c492888756a62ab723c1af2c33419a3ee00b7b6344a066274c6a0c3","cross_cats_sorted":["physics.comp-ph","quant-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2012-06-27T15:13:06Z","title_canon_sha256":"9a5dabe8b1b1d10921e014328187058f4be6c9206f4f4bb8612af3746b4efa98"},"schema_version":"1.0","source":{"id":"1206.6299","kind":"arxiv","version":1}},"canonical_sha256":"e59a47815dd2c0ba36fa0928ca6aacf1387b29d2615ad7fe97702fa60ce82597","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"e59a47815dd2c0ba36fa0928ca6aacf1387b29d2615ad7fe97702fa60ce82597","first_computed_at":"2026-05-18T03:36:36.808036Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T03:36:36.808036Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"kwj2aJlwbxUYGjja3saX1Ye5VjjAb03M0MZb4meaxrqUsHs5rPgyFqu9OxWOaZBtn+lq4cKuQcpSJRP8mSoQCA==","signature_status":"signed_v1","signed_at":"2026-05-18T03:36:36.808747Z","signed_message":"canonical_sha256_bytes"},"source_id":"1206.6299","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:0a184d70e4367d8ba19a34b8db7b256dd2299026fe4799ef38f58e3566bd09fa","sha256:0bbfc2a766fc960405bcc68fd0d717ee7e221466ab380053b439e0b432ac915b"],"state_sha256":"a919d50d1072f9ac6e2dd5c31092e9f98d771929696fa90682d904d45c011f70"}