{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2018:Y2MAHBFDV5EZ5NCL37DGEVYLZ5","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":"625dc31e87af741de2457782edf20f5cf3fd7cbda4e8d1301e2b387aa9c6fded","cross_cats_sorted":["cond-mat.mtrl-sci"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-03-02T23:01:48Z","title_canon_sha256":"871d947913fc07a69fce2dc592f576533008cf748f2db45c3da6c04b7c9feee4"},"schema_version":"1.0","source":{"id":"1803.01067","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1803.01067","created_at":"2026-05-18T00:22:01Z"},{"alias_kind":"arxiv_version","alias_value":"1803.01067v1","created_at":"2026-05-18T00:22:01Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1803.01067","created_at":"2026-05-18T00:22:01Z"},{"alias_kind":"pith_short_12","alias_value":"Y2MAHBFDV5EZ","created_at":"2026-05-18T12:33:04Z"},{"alias_kind":"pith_short_16","alias_value":"Y2MAHBFDV5EZ5NCL","created_at":"2026-05-18T12:33:04Z"},{"alias_kind":"pith_short_8","alias_value":"Y2MAHBFD","created_at":"2026-05-18T12:33:04Z"}],"graph_snapshots":[{"event_id":"sha256:e6ff1a995276c1b30713bdfb528b2ffe523deb0af6cd3cee8cc337ff0750cf35","target":"graph","created_at":"2026-05-18T00:22:01Z","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":"Charge transfer multiplet (CTM) theory is a computationally undemanding and highly mature method for simulating the soft X-ray spectra of first-row transition metal complexes. However, CTM theory has seldom been applied to the simulation of excited state spectra. In this article, we extend the CTM4XAS software package to simulate M2,3- and L2,3-edge spectra of excited states of first-row transition metals and to interpret CTM eigenfunctions in terms of Russell-Saunders term symbols. We use these new programs to reinterpret the recently reported excited state M2,3-edge difference spectra of pho","authors_text":"Gregory S. Girolami, Josh Vura-Weis, Kaili Zhang","cross_cats":["cond-mat.mtrl-sci"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-03-02T23:01:48Z","title":"Improved Charge Transfer Multiplet Method to Simulate M- and L-Edge X-ray Absorption Spectra of Metal-Centered Excited States"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1803.01067","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":"sha256:30e5a2d49f9897a63af08488c7b343207d7d3aeac8747bfb889180bdb9b9c118","target":"record","created_at":"2026-05-18T00:22:01Z","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":"625dc31e87af741de2457782edf20f5cf3fd7cbda4e8d1301e2b387aa9c6fded","cross_cats_sorted":["cond-mat.mtrl-sci"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2018-03-02T23:01:48Z","title_canon_sha256":"871d947913fc07a69fce2dc592f576533008cf748f2db45c3da6c04b7c9feee4"},"schema_version":"1.0","source":{"id":"1803.01067","kind":"arxiv","version":1}},"canonical_sha256":"c6980384a3af499eb44bdfc662570bcf5f37eac8c566dffc9596a9c902a58326","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"c6980384a3af499eb44bdfc662570bcf5f37eac8c566dffc9596a9c902a58326","first_computed_at":"2026-05-18T00:22:01.857848Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T00:22:01.857848Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"FOIwpeHzUbQno4CywkyZ+86c4b5oBpHHFkuHbCLe4Kaydi6bUL2V8aosiuLKZokYtbxoK/tJhbQcxk0StVb0CA==","signature_status":"signed_v1","signed_at":"2026-05-18T00:22:01.858470Z","signed_message":"canonical_sha256_bytes"},"source_id":"1803.01067","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:30e5a2d49f9897a63af08488c7b343207d7d3aeac8747bfb889180bdb9b9c118","sha256:e6ff1a995276c1b30713bdfb528b2ffe523deb0af6cd3cee8cc337ff0750cf35"],"state_sha256":"354980fb55691a4d1719b66f8afe1b854c8ce65ad5e0b8f99105458b5bf32601"}