{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2017:CMI6M6SOQMYUSOSVLP5NK5OIUG","short_pith_number":"pith:CMI6M6SO","canonical_record":{"source":{"id":"1709.08558","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-09-25T15:39:45Z","cross_cats_sorted":[],"title_canon_sha256":"d3d5890a2401c94f5adbde4b0167115b323c4cded5b68bf7862626e5159497b5","abstract_canon_sha256":"e4b228d552fd7b9501baa64972f83d03f31436b87570189e821848e8e104da3c"},"schema_version":"1.0"},"canonical_sha256":"1311e67a4e8331493a555bfad575c8a1b99636671972ecee2f8b1d60ebd7621e","source":{"kind":"arxiv","id":"1709.08558","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1709.08558","created_at":"2026-05-18T00:32:04Z"},{"alias_kind":"arxiv_version","alias_value":"1709.08558v1","created_at":"2026-05-18T00:32:04Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1709.08558","created_at":"2026-05-18T00:32:04Z"},{"alias_kind":"pith_short_12","alias_value":"CMI6M6SOQMYU","created_at":"2026-05-18T12:31:10Z"},{"alias_kind":"pith_short_16","alias_value":"CMI6M6SOQMYUSOSV","created_at":"2026-05-18T12:31:10Z"},{"alias_kind":"pith_short_8","alias_value":"CMI6M6SO","created_at":"2026-05-18T12:31:10Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2017:CMI6M6SOQMYUSOSVLP5NK5OIUG","target":"record","payload":{"canonical_record":{"source":{"id":"1709.08558","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-09-25T15:39:45Z","cross_cats_sorted":[],"title_canon_sha256":"d3d5890a2401c94f5adbde4b0167115b323c4cded5b68bf7862626e5159497b5","abstract_canon_sha256":"e4b228d552fd7b9501baa64972f83d03f31436b87570189e821848e8e104da3c"},"schema_version":"1.0"},"canonical_sha256":"1311e67a4e8331493a555bfad575c8a1b99636671972ecee2f8b1d60ebd7621e","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T00:32:04.860913Z","signature_b64":"aH/Y2lrpGsIqEabE33Dpg5JFVsWEj6NLInAUxfBS7hje+RMuuUxjZmXdA26JM7SngKeIBfJ97XgjATp6qk7jAQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"1311e67a4e8331493a555bfad575c8a1b99636671972ecee2f8b1d60ebd7621e","last_reissued_at":"2026-05-18T00:32:04.860385Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T00:32:04.860385Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1709.08558","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":"2026-05-18T00:32:04Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"y+DdgKvrUXOOx5ZhX25qVf5/I/9BztkEglwSKbN5dganeiTQDo/dEr5XTRpTLSHXupu07K8fD3mfNrrxIAYhAg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-01T01:27:19.410015Z"},"content_sha256":"17fc17eb53ddebea7b3f52f659f09f4d7f5ff9b22176cf47ea1afd324d48c701","schema_version":"1.0","event_id":"sha256:17fc17eb53ddebea7b3f52f659f09f4d7f5ff9b22176cf47ea1afd324d48c701"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2017:CMI6M6SOQMYUSOSVLP5NK5OIUG","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"General variational approach to nuclear-quadrupole coupling in rovibrational spectra of polyatomic molecules","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Andrey Yachmenev, Jochen K\\\"upper","submitted_at":"2017-09-25T15:39:45Z","abstract_excerpt":"A general algorithm for computing the quadrupole-hyperfine effects in the rovibrational spectra of polyatomic molecules is presented for the case of ammonia (NH$_3$). The method extends the general variational approach TROVE by adding the extra term in the Hamiltonian that describes the nuclear quadrupole coupling, with no inherent limitation on the number of quadrupolar nuclei in a molecule. We applied the new approach to compute the nitrogen-nuclear-quadrupole hyperfine structure in the rovibrational spectrum of NH$_3$. These results agree very well with recent experimental spectroscopic dat"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1709.08558","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":"2026-05-18T00:32:04Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"c+hG3ch9R1jyCsRan8ECpGUXbniSKjRT/VNaBH+dKxjKKwOYEC8+61bvhb3Nt/IvLKmoSqxaSCR+7hfZqrbwAw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-01T01:27:19.410386Z"},"content_sha256":"3ac5e13f32a25a97660945e96fd4ab13076976f8d15db528b1b51527eea18375","schema_version":"1.0","event_id":"sha256:3ac5e13f32a25a97660945e96fd4ab13076976f8d15db528b1b51527eea18375"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/CMI6M6SOQMYUSOSVLP5NK5OIUG/bundle.json","state_url":"https://pith.science/pith/CMI6M6SOQMYUSOSVLP5NK5OIUG/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/CMI6M6SOQMYUSOSVLP5NK5OIUG/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":"2026-06-01T01:27:19Z","links":{"resolver":"https://pith.science/pith/CMI6M6SOQMYUSOSVLP5NK5OIUG","bundle":"https://pith.science/pith/CMI6M6SOQMYUSOSVLP5NK5OIUG/bundle.json","state":"https://pith.science/pith/CMI6M6SOQMYUSOSVLP5NK5OIUG/state.json","well_known_bundle":"https://pith.science/.well-known/pith/CMI6M6SOQMYUSOSVLP5NK5OIUG/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2017:CMI6M6SOQMYUSOSVLP5NK5OIUG","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":"e4b228d552fd7b9501baa64972f83d03f31436b87570189e821848e8e104da3c","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-09-25T15:39:45Z","title_canon_sha256":"d3d5890a2401c94f5adbde4b0167115b323c4cded5b68bf7862626e5159497b5"},"schema_version":"1.0","source":{"id":"1709.08558","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1709.08558","created_at":"2026-05-18T00:32:04Z"},{"alias_kind":"arxiv_version","alias_value":"1709.08558v1","created_at":"2026-05-18T00:32:04Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1709.08558","created_at":"2026-05-18T00:32:04Z"},{"alias_kind":"pith_short_12","alias_value":"CMI6M6SOQMYU","created_at":"2026-05-18T12:31:10Z"},{"alias_kind":"pith_short_16","alias_value":"CMI6M6SOQMYUSOSV","created_at":"2026-05-18T12:31:10Z"},{"alias_kind":"pith_short_8","alias_value":"CMI6M6SO","created_at":"2026-05-18T12:31:10Z"}],"graph_snapshots":[{"event_id":"sha256:3ac5e13f32a25a97660945e96fd4ab13076976f8d15db528b1b51527eea18375","target":"graph","created_at":"2026-05-18T00:32:04Z","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":"A general algorithm for computing the quadrupole-hyperfine effects in the rovibrational spectra of polyatomic molecules is presented for the case of ammonia (NH$_3$). The method extends the general variational approach TROVE by adding the extra term in the Hamiltonian that describes the nuclear quadrupole coupling, with no inherent limitation on the number of quadrupolar nuclei in a molecule. We applied the new approach to compute the nitrogen-nuclear-quadrupole hyperfine structure in the rovibrational spectrum of NH$_3$. These results agree very well with recent experimental spectroscopic dat","authors_text":"Andrey Yachmenev, Jochen K\\\"upper","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-09-25T15:39:45Z","title":"General variational approach to nuclear-quadrupole coupling in rovibrational spectra of polyatomic molecules"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1709.08558","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":"sha256:17fc17eb53ddebea7b3f52f659f09f4d7f5ff9b22176cf47ea1afd324d48c701","target":"record","created_at":"2026-05-18T00:32:04Z","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":"e4b228d552fd7b9501baa64972f83d03f31436b87570189e821848e8e104da3c","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2017-09-25T15:39:45Z","title_canon_sha256":"d3d5890a2401c94f5adbde4b0167115b323c4cded5b68bf7862626e5159497b5"},"schema_version":"1.0","source":{"id":"1709.08558","kind":"arxiv","version":1}},"canonical_sha256":"1311e67a4e8331493a555bfad575c8a1b99636671972ecee2f8b1d60ebd7621e","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"1311e67a4e8331493a555bfad575c8a1b99636671972ecee2f8b1d60ebd7621e","first_computed_at":"2026-05-18T00:32:04.860385Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T00:32:04.860385Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"aH/Y2lrpGsIqEabE33Dpg5JFVsWEj6NLInAUxfBS7hje+RMuuUxjZmXdA26JM7SngKeIBfJ97XgjATp6qk7jAQ==","signature_status":"signed_v1","signed_at":"2026-05-18T00:32:04.860913Z","signed_message":"canonical_sha256_bytes"},"source_id":"1709.08558","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:17fc17eb53ddebea7b3f52f659f09f4d7f5ff9b22176cf47ea1afd324d48c701","sha256:3ac5e13f32a25a97660945e96fd4ab13076976f8d15db528b1b51527eea18375"],"state_sha256":"17156d1e35d08ffdd318215ed39f6c6c7cc3140c6e3bb4ed71f4ea1428e32c34"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"LvfgHdtOoghsGwXHW+3ncM8EId6Nctp9rcY0spDr+cIGqf5qQJmHEp7eYV6tLZNP4T1boTb7yp0HHJURAOeQCA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-06-01T01:27:19.412723Z","bundle_sha256":"256f41a374b2790325a0704a4edbc7fb7da79d0db15ff2b11ecf6c5885205285"}}