{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2019:2VVTNBBBCJRGA3L22GCBZS3RQL","short_pith_number":"pith:2VVTNBBB","canonical_record":{"source":{"id":"1907.10000","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2019-07-23T16:49:18Z","cross_cats_sorted":[],"title_canon_sha256":"075d8e4cf0491e5b3eb06111ebf3ea5b8d92c155b655418cbb8d1cc2fa8d7a8f","abstract_canon_sha256":"25f5529bf176be006f88b4c2884e8404a9c7fecb6f16df89d3441a2de28b34ff"},"schema_version":"1.0"},"canonical_sha256":"d56b3684211262606d7ad1841ccb7182da974f6baf37b03276c3ed2e123f1a76","source":{"kind":"arxiv","id":"1907.10000","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1907.10000","created_at":"2026-07-05T00:31:53Z"},{"alias_kind":"arxiv_version","alias_value":"1907.10000v2","created_at":"2026-07-05T00:31:53Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1907.10000","created_at":"2026-07-05T00:31:53Z"},{"alias_kind":"pith_short_12","alias_value":"2VVTNBBBCJRG","created_at":"2026-07-05T00:31:53Z"},{"alias_kind":"pith_short_16","alias_value":"2VVTNBBBCJRGA3L2","created_at":"2026-07-05T00:31:53Z"},{"alias_kind":"pith_short_8","alias_value":"2VVTNBBB","created_at":"2026-07-05T00:31:53Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2019:2VVTNBBBCJRGA3L22GCBZS3RQL","target":"record","payload":{"canonical_record":{"source":{"id":"1907.10000","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2019-07-23T16:49:18Z","cross_cats_sorted":[],"title_canon_sha256":"075d8e4cf0491e5b3eb06111ebf3ea5b8d92c155b655418cbb8d1cc2fa8d7a8f","abstract_canon_sha256":"25f5529bf176be006f88b4c2884e8404a9c7fecb6f16df89d3441a2de28b34ff"},"schema_version":"1.0"},"canonical_sha256":"d56b3684211262606d7ad1841ccb7182da974f6baf37b03276c3ed2e123f1a76","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T00:31:53.947150Z","signature_b64":"+PHkDX28SuolOML2Y2pKDbt5xtHD/r0RZR/+CAv8L3GlsN9P1wCuXcdMcG4jhmFEGcMmPeALA+CxhXSq6+7vCA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"d56b3684211262606d7ad1841ccb7182da974f6baf37b03276c3ed2e123f1a76","last_reissued_at":"2026-07-05T00:31:53.946685Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T00:31:53.946685Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1907.10000","source_version":2,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T00:31:53Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"d30qAfV5FNoSTT84GYcFt3JkaurPcYPQ0xv6JC+4anJteiO2S08bzqjPr8owHq1Q59IbWAcbdipoPTFNkuHjDA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-04T04:39:43.771884Z"},"content_sha256":"5806db2c30be16643ad3559598b7f5adc96f5639bdace070eca6ffefd8e12a26","schema_version":"1.0","event_id":"sha256:5806db2c30be16643ad3559598b7f5adc96f5639bdace070eca6ffefd8e12a26"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2019:2VVTNBBBCJRGA3L22GCBZS3RQL","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Double Core Hole Valence-to-Core X-ray Emission Spectroscopy: A Theoretical Exploration Using Time-Dependent Density Functional Theory","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Munira Khalil, Niranjan Govind, Robert W. Schoenlein, Uwe Bergmann, Yu Zhang","submitted_at":"2019-07-23T16:49:18Z","abstract_excerpt":"With the help of newly developed X-ray free-electron laser (XFEL) sources, creating double core holes simultaneously at the same or different atomic sites in a molecule has now become possible. Double core hole (DCH) X-ray emission is a new form of X-ray nonlinear spectroscopy that can be studied with a XFEL. Here we computationally explore the metal K-edge valence-to-core (VtC) X-ray emission spectroscopy (XES) of metal/metal and metal/ligand double core hole states in a series of transition metal complexes with time-dependent density functional theory. The simulated DCH VtC-XES signals are c"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1907.10000","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":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/1907.10000/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"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":"2026-07-05T00:31:53Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"YFwZY7LOsNPhTEMmyjTdKZU0Dz44QhUKxZMwHv6qOCRRZOjPWY5URFCP3FLeRjHvg5JvKM2DmxvVhGL37LkaCw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-04T04:39:43.772273Z"},"content_sha256":"aa5fb2f62fd99995ba68f72184ad35133500f80b63de2b649a3700656a2c414d","schema_version":"1.0","event_id":"sha256:aa5fb2f62fd99995ba68f72184ad35133500f80b63de2b649a3700656a2c414d"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/2VVTNBBBCJRGA3L22GCBZS3RQL/bundle.json","state_url":"https://pith.science/pith/2VVTNBBBCJRGA3L22GCBZS3RQL/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/2VVTNBBBCJRGA3L22GCBZS3RQL/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":"2026-08-04T04:39:43Z","links":{"resolver":"https://pith.science/pith/2VVTNBBBCJRGA3L22GCBZS3RQL","bundle":"https://pith.science/pith/2VVTNBBBCJRGA3L22GCBZS3RQL/bundle.json","state":"https://pith.science/pith/2VVTNBBBCJRGA3L22GCBZS3RQL/state.json","well_known_bundle":"https://pith.science/.well-known/pith/2VVTNBBBCJRGA3L22GCBZS3RQL/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2019:2VVTNBBBCJRGA3L22GCBZS3RQL","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":"25f5529bf176be006f88b4c2884e8404a9c7fecb6f16df89d3441a2de28b34ff","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2019-07-23T16:49:18Z","title_canon_sha256":"075d8e4cf0491e5b3eb06111ebf3ea5b8d92c155b655418cbb8d1cc2fa8d7a8f"},"schema_version":"1.0","source":{"id":"1907.10000","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1907.10000","created_at":"2026-07-05T00:31:53Z"},{"alias_kind":"arxiv_version","alias_value":"1907.10000v2","created_at":"2026-07-05T00:31:53Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1907.10000","created_at":"2026-07-05T00:31:53Z"},{"alias_kind":"pith_short_12","alias_value":"2VVTNBBBCJRG","created_at":"2026-07-05T00:31:53Z"},{"alias_kind":"pith_short_16","alias_value":"2VVTNBBBCJRGA3L2","created_at":"2026-07-05T00:31:53Z"},{"alias_kind":"pith_short_8","alias_value":"2VVTNBBB","created_at":"2026-07-05T00:31:53Z"}],"graph_snapshots":[{"event_id":"sha256:aa5fb2f62fd99995ba68f72184ad35133500f80b63de2b649a3700656a2c414d","target":"graph","created_at":"2026-07-05T00:31:53Z","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/1907.10000/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"With the help of newly developed X-ray free-electron laser (XFEL) sources, creating double core holes simultaneously at the same or different atomic sites in a molecule has now become possible. Double core hole (DCH) X-ray emission is a new form of X-ray nonlinear spectroscopy that can be studied with a XFEL. Here we computationally explore the metal K-edge valence-to-core (VtC) X-ray emission spectroscopy (XES) of metal/metal and metal/ligand double core hole states in a series of transition metal complexes with time-dependent density functional theory. The simulated DCH VtC-XES signals are c","authors_text":"Munira Khalil, Niranjan Govind, Robert W. Schoenlein, Uwe Bergmann, Yu Zhang","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2019-07-23T16:49:18Z","title":"Double Core Hole Valence-to-Core X-ray Emission Spectroscopy: A Theoretical Exploration Using Time-Dependent Density Functional Theory"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1907.10000","kind":"arxiv","version":2},"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":"sha256:5806db2c30be16643ad3559598b7f5adc96f5639bdace070eca6ffefd8e12a26","target":"record","created_at":"2026-07-05T00:31:53Z","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":"25f5529bf176be006f88b4c2884e8404a9c7fecb6f16df89d3441a2de28b34ff","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2019-07-23T16:49:18Z","title_canon_sha256":"075d8e4cf0491e5b3eb06111ebf3ea5b8d92c155b655418cbb8d1cc2fa8d7a8f"},"schema_version":"1.0","source":{"id":"1907.10000","kind":"arxiv","version":2}},"canonical_sha256":"d56b3684211262606d7ad1841ccb7182da974f6baf37b03276c3ed2e123f1a76","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"d56b3684211262606d7ad1841ccb7182da974f6baf37b03276c3ed2e123f1a76","first_computed_at":"2026-07-05T00:31:53.946685Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T00:31:53.946685Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"+PHkDX28SuolOML2Y2pKDbt5xtHD/r0RZR/+CAv8L3GlsN9P1wCuXcdMcG4jhmFEGcMmPeALA+CxhXSq6+7vCA==","signature_status":"signed_v1","signed_at":"2026-07-05T00:31:53.947150Z","signed_message":"canonical_sha256_bytes"},"source_id":"1907.10000","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:5806db2c30be16643ad3559598b7f5adc96f5639bdace070eca6ffefd8e12a26","sha256:aa5fb2f62fd99995ba68f72184ad35133500f80b63de2b649a3700656a2c414d"],"state_sha256":"9b2752201a8e167d599031c354bae26b332185c5c7bb0c8ac5b3ea546785a620"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"z3fHZ+pvVOHYCYopFvb3UfeT/6+8gyRaaDRFbVuSZKNXNgHWTwUmCJ5JfTOqxnyaIkB1WUaxWU4He+5HRj80Cw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-04T04:39:43.775083Z","bundle_sha256":"a36c6b1ea7037d42a87232ba9410748e52d75858c24f8e2172e89f3e8e6354f4"}}