{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2021:MSKZTTLKJQN2W2RKFYBP6334MW","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":"48e870ddcb558bc47f92ba76fb742d765ff20278d9128aac599d8db44ee26bb3","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2021-05-28T15:33:34Z","title_canon_sha256":"677637cdd147a75ecdcc969d2ff7ade430d3c988d329134cb6959635bda0bc3d"},"schema_version":"1.0","source":{"id":"2105.13918","kind":"arxiv","version":3}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2105.13918","created_at":"2026-07-05T03:49:11Z"},{"alias_kind":"arxiv_version","alias_value":"2105.13918v3","created_at":"2026-07-05T03:49:11Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2105.13918","created_at":"2026-07-05T03:49:11Z"},{"alias_kind":"pith_short_12","alias_value":"MSKZTTLKJQN2","created_at":"2026-07-05T03:49:11Z"},{"alias_kind":"pith_short_16","alias_value":"MSKZTTLKJQN2W2RK","created_at":"2026-07-05T03:49:11Z"},{"alias_kind":"pith_short_8","alias_value":"MSKZTTLK","created_at":"2026-07-05T03:49:11Z"}],"graph_snapshots":[{"event_id":"sha256:389a21c615b330b2274daca25742a8ff89f9a0dbc62c64d252f9abb34e8633b6","target":"graph","created_at":"2026-07-05T03:49:11Z","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/2105.13918/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"We developed recently [A. Fert\\'e, et al., J. Phys. Chem. Lett. 11, 4359 (2020)] a method to compute single site double core hole (ssDCH or K$^{-2}$) spectra. We refer to that method as NOTA+CIPSI. In the present paper this method is applied to the O K$^{-2}$ spectrum of the CO$_2$ molecule, and we use this as an example to discuss in detail its convergence properties. Using this approach, a theoretical spectra in excellent agreement with the experimental one is obtained. Thanks to a thorough interpretation of the shake-up states responsible for the main satellite peaks and with the help of a ","authors_text":"Anthony Fert\\'e, Eiji Shigemasa, Francis Penent, Hiroshi Iwayama, J\\'er\\^ome Palaudoux, Kouichi Soejima, Pascal Lablanquie, Richard Ta\\\"ieb, St\\'ephane Carniato, Yasumasa Hikosaka","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2021-05-28T15:33:34Z","title":"Specific chemical bond relaxation unravelled by analysis of shake-up satellites in the oxygen single site double core hole spectrum of CO$_2$"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2105.13918","kind":"arxiv","version":3},"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:ccf248668480d0807e9b5fd08c2ac019d94e0c297903e7a0514cdbdefa81d99e","target":"record","created_at":"2026-07-05T03:49:11Z","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":"48e870ddcb558bc47f92ba76fb742d765ff20278d9128aac599d8db44ee26bb3","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2021-05-28T15:33:34Z","title_canon_sha256":"677637cdd147a75ecdcc969d2ff7ade430d3c988d329134cb6959635bda0bc3d"},"schema_version":"1.0","source":{"id":"2105.13918","kind":"arxiv","version":3}},"canonical_sha256":"649599cd6a4c1bab6a2a2e02ff6f7c65a9c4035aa03e238778d030bce4f49102","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"649599cd6a4c1bab6a2a2e02ff6f7c65a9c4035aa03e238778d030bce4f49102","first_computed_at":"2026-07-05T03:49:11.942822Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T03:49:11.942822Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"DRqyWeReM58G1K/SOb/NBpS6v8uHfILIYXa7v+cXakAAzYwIAxHgrYoRAakdSIBQyO/9YLtGAD7Tf/vHZqYuDQ==","signature_status":"signed_v1","signed_at":"2026-07-05T03:49:11.943269Z","signed_message":"canonical_sha256_bytes"},"source_id":"2105.13918","source_kind":"arxiv","source_version":3}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:ccf248668480d0807e9b5fd08c2ac019d94e0c297903e7a0514cdbdefa81d99e","sha256:389a21c615b330b2274daca25742a8ff89f9a0dbc62c64d252f9abb34e8633b6"],"state_sha256":"17669465542ce32ddeb262e182ca6c8a4ca1a941d666184bb8076f9aa79d8e6c"}