{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2013:AJMAGRD5WUOLYILYB74I5DWIJD","short_pith_number":"pith:AJMAGRD5","canonical_record":{"source":{"id":"1307.1644","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2013-07-05T15:55:53Z","cross_cats_sorted":["cond-mat.mtrl-sci"],"title_canon_sha256":"675130c7a5ee77305c1bc4ee3ee33bc3470b86c2e27b1bbe930d3c976d4b37fa","abstract_canon_sha256":"60254a5e568ec2c01417d6e32fc2c6af1a19134ce1f13da7764b530d5c2060e9"},"schema_version":"1.0"},"canonical_sha256":"025803447db51cbc21780ff88e8ec848d803ab938a0da7dc9fdbbc0e29e7720c","source":{"kind":"arxiv","id":"1307.1644","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1307.1644","created_at":"2026-05-18T03:19:12Z"},{"alias_kind":"arxiv_version","alias_value":"1307.1644v1","created_at":"2026-05-18T03:19:12Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1307.1644","created_at":"2026-05-18T03:19:12Z"},{"alias_kind":"pith_short_12","alias_value":"AJMAGRD5WUOL","created_at":"2026-05-18T12:27:38Z"},{"alias_kind":"pith_short_16","alias_value":"AJMAGRD5WUOLYILY","created_at":"2026-05-18T12:27:38Z"},{"alias_kind":"pith_short_8","alias_value":"AJMAGRD5","created_at":"2026-05-18T12:27:38Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2013:AJMAGRD5WUOLYILYB74I5DWIJD","target":"record","payload":{"canonical_record":{"source":{"id":"1307.1644","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2013-07-05T15:55:53Z","cross_cats_sorted":["cond-mat.mtrl-sci"],"title_canon_sha256":"675130c7a5ee77305c1bc4ee3ee33bc3470b86c2e27b1bbe930d3c976d4b37fa","abstract_canon_sha256":"60254a5e568ec2c01417d6e32fc2c6af1a19134ce1f13da7764b530d5c2060e9"},"schema_version":"1.0"},"canonical_sha256":"025803447db51cbc21780ff88e8ec848d803ab938a0da7dc9fdbbc0e29e7720c","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T03:19:12.327180Z","signature_b64":"9IGsPXzycbQTMoINUrnbdJO/EPCz0psEJWMu3E2t2KgcUwtNFsCuEYu5Luve3aVYCbvQm86zxqJY7GOeoPbfCw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"025803447db51cbc21780ff88e8ec848d803ab938a0da7dc9fdbbc0e29e7720c","last_reissued_at":"2026-05-18T03:19:12.326387Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T03:19:12.326387Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1307.1644","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":"2026-05-18T03:19:12Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"mjJ59wwuLdZbbnp1DVHIWHQgsCBTQDLg5BppDVrJZYdHVGbgTQUdsWGO6dFv4VJBsW6e3Uw6EZtjLoKcfWoQAA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-30T11:12:55.482228Z"},"content_sha256":"378b41de1411cda10da2172eadd31008d778899c7d6c989489e2ec1ea80fa0ba","schema_version":"1.0","event_id":"sha256:378b41de1411cda10da2172eadd31008d778899c7d6c989489e2ec1ea80fa0ba"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2013:AJMAGRD5WUOLYILYB74I5DWIJD","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"DFT-GGA errors in NO chemisorption energies on (111) transition metal surfaces: Possible origins and correction schemes","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.mtrl-sci"],"primary_cat":"physics.chem-ph","authors_text":"Sara E. Mason, Xu Huang","submitted_at":"2013-07-05T15:55:53Z","abstract_excerpt":"Here we investigate whether well-known DFT-GGA errors in predicting the chemisorption energy ($E_{\\rm chem}$) of CO on transition metal surfaces manifest in analogous NO chemisorption systems. To verify the occurrence of DFT-GGA overestimation of the back-donation mechanism in NO Chemisorption, we use electronic structure analysis to show that the partially filled molecular NO 2$\\pi^{*}$ orbital rehybridizes with the transition metal $d$-band to form new bonding and anti-bonding states. We relate the back-donation charge transfer associated with chemisorption to the promotion of an electron fr"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1307.1644","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":"2026-05-18T03:19:12Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"10MZseI7l7VUg74CP3liEeCEZ3GXyxr4lEnPkAAqMV4TB9uDqoXfeYPTFcvNRoM1Gk5ukE4oW8s9I1Cqg/KhCQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-30T11:12:55.482611Z"},"content_sha256":"eef5f25d985031cceeddee621034fea754f6706c4408780f0a9ca3bfbf0b38b3","schema_version":"1.0","event_id":"sha256:eef5f25d985031cceeddee621034fea754f6706c4408780f0a9ca3bfbf0b38b3"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/AJMAGRD5WUOLYILYB74I5DWIJD/bundle.json","state_url":"https://pith.science/pith/AJMAGRD5WUOLYILYB74I5DWIJD/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/AJMAGRD5WUOLYILYB74I5DWIJD/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":"2026-05-30T11:12:55Z","links":{"resolver":"https://pith.science/pith/AJMAGRD5WUOLYILYB74I5DWIJD","bundle":"https://pith.science/pith/AJMAGRD5WUOLYILYB74I5DWIJD/bundle.json","state":"https://pith.science/pith/AJMAGRD5WUOLYILYB74I5DWIJD/state.json","well_known_bundle":"https://pith.science/.well-known/pith/AJMAGRD5WUOLYILYB74I5DWIJD/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2013:AJMAGRD5WUOLYILYB74I5DWIJD","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":"60254a5e568ec2c01417d6e32fc2c6af1a19134ce1f13da7764b530d5c2060e9","cross_cats_sorted":["cond-mat.mtrl-sci"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2013-07-05T15:55:53Z","title_canon_sha256":"675130c7a5ee77305c1bc4ee3ee33bc3470b86c2e27b1bbe930d3c976d4b37fa"},"schema_version":"1.0","source":{"id":"1307.1644","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1307.1644","created_at":"2026-05-18T03:19:12Z"},{"alias_kind":"arxiv_version","alias_value":"1307.1644v1","created_at":"2026-05-18T03:19:12Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1307.1644","created_at":"2026-05-18T03:19:12Z"},{"alias_kind":"pith_short_12","alias_value":"AJMAGRD5WUOL","created_at":"2026-05-18T12:27:38Z"},{"alias_kind":"pith_short_16","alias_value":"AJMAGRD5WUOLYILY","created_at":"2026-05-18T12:27:38Z"},{"alias_kind":"pith_short_8","alias_value":"AJMAGRD5","created_at":"2026-05-18T12:27:38Z"}],"graph_snapshots":[{"event_id":"sha256:eef5f25d985031cceeddee621034fea754f6706c4408780f0a9ca3bfbf0b38b3","target":"graph","created_at":"2026-05-18T03:19:12Z","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":"Here we investigate whether well-known DFT-GGA errors in predicting the chemisorption energy ($E_{\\rm chem}$) of CO on transition metal surfaces manifest in analogous NO chemisorption systems. To verify the occurrence of DFT-GGA overestimation of the back-donation mechanism in NO Chemisorption, we use electronic structure analysis to show that the partially filled molecular NO 2$\\pi^{*}$ orbital rehybridizes with the transition metal $d$-band to form new bonding and anti-bonding states. We relate the back-donation charge transfer associated with chemisorption to the promotion of an electron fr","authors_text":"Sara E. Mason, Xu Huang","cross_cats":["cond-mat.mtrl-sci"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2013-07-05T15:55:53Z","title":"DFT-GGA errors in NO chemisorption energies on (111) transition metal surfaces: Possible origins and correction schemes"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1307.1644","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":"sha256:378b41de1411cda10da2172eadd31008d778899c7d6c989489e2ec1ea80fa0ba","target":"record","created_at":"2026-05-18T03:19:12Z","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":"60254a5e568ec2c01417d6e32fc2c6af1a19134ce1f13da7764b530d5c2060e9","cross_cats_sorted":["cond-mat.mtrl-sci"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2013-07-05T15:55:53Z","title_canon_sha256":"675130c7a5ee77305c1bc4ee3ee33bc3470b86c2e27b1bbe930d3c976d4b37fa"},"schema_version":"1.0","source":{"id":"1307.1644","kind":"arxiv","version":1}},"canonical_sha256":"025803447db51cbc21780ff88e8ec848d803ab938a0da7dc9fdbbc0e29e7720c","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"025803447db51cbc21780ff88e8ec848d803ab938a0da7dc9fdbbc0e29e7720c","first_computed_at":"2026-05-18T03:19:12.326387Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T03:19:12.326387Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"9IGsPXzycbQTMoINUrnbdJO/EPCz0psEJWMu3E2t2KgcUwtNFsCuEYu5Luve3aVYCbvQm86zxqJY7GOeoPbfCw==","signature_status":"signed_v1","signed_at":"2026-05-18T03:19:12.327180Z","signed_message":"canonical_sha256_bytes"},"source_id":"1307.1644","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:378b41de1411cda10da2172eadd31008d778899c7d6c989489e2ec1ea80fa0ba","sha256:eef5f25d985031cceeddee621034fea754f6706c4408780f0a9ca3bfbf0b38b3"],"state_sha256":"5abba726a588ab9c115fe00084592b7da1bef006165292e4809c7f9f6703f06c"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"7m097tXMef04q5nldjy8sdv+wy0u7BhauzqGSQjjjR48ma7K6TmTWip+UqpNCWmkQLiPruENybmZN192U4NODg==","signed_message":"bundle_sha256_bytes","signed_at":"2026-05-30T11:12:55.484911Z","bundle_sha256":"af3bf6530ba5f5675a6a4dd4df5343d2acfd0bf58ce9ab83c85b9bd2576a4629"}}