{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2010:QLLBAAMBFB7ECBTSEQAHPC7UD4","short_pith_number":"pith:QLLBAAMB","canonical_record":{"source":{"id":"1002.4117","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2010-02-22T14:02:59Z","cross_cats_sorted":[],"title_canon_sha256":"0de0ba82337abf2b8a36db0486621a7b4de0bf1375ccf5a5f89fabb672385862","abstract_canon_sha256":"378ff7eefeff4c50e684b529eb49b3f601bce59744c5b10ee913dda9105cfaf0"},"schema_version":"1.0"},"canonical_sha256":"82d6100181287e4106722400778bf41f36786f5c5f657277827067e7c3dfee7f","source":{"kind":"arxiv","id":"1002.4117","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1002.4117","created_at":"2026-05-18T02:08:58Z"},{"alias_kind":"arxiv_version","alias_value":"1002.4117v2","created_at":"2026-05-18T02:08:58Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1002.4117","created_at":"2026-05-18T02:08:58Z"},{"alias_kind":"pith_short_12","alias_value":"QLLBAAMBFB7E","created_at":"2026-05-18T12:26:12Z"},{"alias_kind":"pith_short_16","alias_value":"QLLBAAMBFB7ECBTS","created_at":"2026-05-18T12:26:12Z"},{"alias_kind":"pith_short_8","alias_value":"QLLBAAMB","created_at":"2026-05-18T12:26:12Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2010:QLLBAAMBFB7ECBTSEQAHPC7UD4","target":"record","payload":{"canonical_record":{"source":{"id":"1002.4117","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2010-02-22T14:02:59Z","cross_cats_sorted":[],"title_canon_sha256":"0de0ba82337abf2b8a36db0486621a7b4de0bf1375ccf5a5f89fabb672385862","abstract_canon_sha256":"378ff7eefeff4c50e684b529eb49b3f601bce59744c5b10ee913dda9105cfaf0"},"schema_version":"1.0"},"canonical_sha256":"82d6100181287e4106722400778bf41f36786f5c5f657277827067e7c3dfee7f","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T02:08:58.166709Z","signature_b64":"8ICZhNRyphbvmlol9V8u53UTdetReFka5uyIs0mNkzsLvoPQI5XH4eR9mC8EhQtYpbuCJklgbsDyEGREv7teBA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"82d6100181287e4106722400778bf41f36786f5c5f657277827067e7c3dfee7f","last_reissued_at":"2026-05-18T02:08:58.165899Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T02:08:58.165899Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1002.4117","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":"2026-05-18T02:08:58Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"5q56YPye+DY7HAPuhc/3dq6THsZE1EpYOTjtYpsVvsx9ycowb7MKPixMVMeHNpm4dkBNMb6xWxXAg/da7HrhDw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-31T03:49:20.669797Z"},"content_sha256":"cb8a8aae8c087553c2b5d301d331a5cd986ecf42e96a295e3a7e006f9366468d","schema_version":"1.0","event_id":"sha256:cb8a8aae8c087553c2b5d301d331a5cd986ecf42e96a295e3a7e006f9366468d"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2010:QLLBAAMBFB7ECBTSEQAHPC7UD4","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Role of the self-interaction error in studying chemisorption on graphene from first-principles","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Espen Flage-Larsen, George R. Darling, Gian Franco Tantardini, Ole Martin L{\\o}vvik, Simone Casolo","submitted_at":"2010-02-22T14:02:59Z","abstract_excerpt":"Adsorption of gaseous species, and in particular of hydrogen atoms, on graphene is an important process for the chemistry of this material. At the equilibrium geometry, the H atom is covalently bonded to a carbon that puckers out from the surface plane. Nevertheless the \\emph{flat} graphene geometry becomes important when considering the full sticking dynamics. Here we show how GGA-DFT predicts a wrong spin state for this geometry, namely $S_z$=0 for a single H atom on graphene. We show how this is caused by the self-interaction error since the system shows fractional electron occupations in t"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1002.4117","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":""},"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":"2026-05-18T02:08:58Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"oDhZfCHgZUboC8r6+3fT7+bnt+WuCnqNkMeBgOgGOAiIx7sceLDXOlE6VUWcb3InfJvMV98ZGTL5eWYzFOMZCw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-31T03:49:20.670147Z"},"content_sha256":"52add2a6c04caaaf25714ca291155614d1cd1b634f79e95a42aa620db7f0f450","schema_version":"1.0","event_id":"sha256:52add2a6c04caaaf25714ca291155614d1cd1b634f79e95a42aa620db7f0f450"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/QLLBAAMBFB7ECBTSEQAHPC7UD4/bundle.json","state_url":"https://pith.science/pith/QLLBAAMBFB7ECBTSEQAHPC7UD4/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/QLLBAAMBFB7ECBTSEQAHPC7UD4/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":"2026-05-31T03:49:20Z","links":{"resolver":"https://pith.science/pith/QLLBAAMBFB7ECBTSEQAHPC7UD4","bundle":"https://pith.science/pith/QLLBAAMBFB7ECBTSEQAHPC7UD4/bundle.json","state":"https://pith.science/pith/QLLBAAMBFB7ECBTSEQAHPC7UD4/state.json","well_known_bundle":"https://pith.science/.well-known/pith/QLLBAAMBFB7ECBTSEQAHPC7UD4/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2010:QLLBAAMBFB7ECBTSEQAHPC7UD4","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":"378ff7eefeff4c50e684b529eb49b3f601bce59744c5b10ee913dda9105cfaf0","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2010-02-22T14:02:59Z","title_canon_sha256":"0de0ba82337abf2b8a36db0486621a7b4de0bf1375ccf5a5f89fabb672385862"},"schema_version":"1.0","source":{"id":"1002.4117","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1002.4117","created_at":"2026-05-18T02:08:58Z"},{"alias_kind":"arxiv_version","alias_value":"1002.4117v2","created_at":"2026-05-18T02:08:58Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1002.4117","created_at":"2026-05-18T02:08:58Z"},{"alias_kind":"pith_short_12","alias_value":"QLLBAAMBFB7E","created_at":"2026-05-18T12:26:12Z"},{"alias_kind":"pith_short_16","alias_value":"QLLBAAMBFB7ECBTS","created_at":"2026-05-18T12:26:12Z"},{"alias_kind":"pith_short_8","alias_value":"QLLBAAMB","created_at":"2026-05-18T12:26:12Z"}],"graph_snapshots":[{"event_id":"sha256:52add2a6c04caaaf25714ca291155614d1cd1b634f79e95a42aa620db7f0f450","target":"graph","created_at":"2026-05-18T02:08:58Z","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":"Adsorption of gaseous species, and in particular of hydrogen atoms, on graphene is an important process for the chemistry of this material. At the equilibrium geometry, the H atom is covalently bonded to a carbon that puckers out from the surface plane. Nevertheless the \\emph{flat} graphene geometry becomes important when considering the full sticking dynamics. Here we show how GGA-DFT predicts a wrong spin state for this geometry, namely $S_z$=0 for a single H atom on graphene. We show how this is caused by the self-interaction error since the system shows fractional electron occupations in t","authors_text":"Espen Flage-Larsen, George R. Darling, Gian Franco Tantardini, Ole Martin L{\\o}vvik, Simone Casolo","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2010-02-22T14:02:59Z","title":"Role of the self-interaction error in studying chemisorption on graphene from first-principles"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1002.4117","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:cb8a8aae8c087553c2b5d301d331a5cd986ecf42e96a295e3a7e006f9366468d","target":"record","created_at":"2026-05-18T02:08:58Z","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":"378ff7eefeff4c50e684b529eb49b3f601bce59744c5b10ee913dda9105cfaf0","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2010-02-22T14:02:59Z","title_canon_sha256":"0de0ba82337abf2b8a36db0486621a7b4de0bf1375ccf5a5f89fabb672385862"},"schema_version":"1.0","source":{"id":"1002.4117","kind":"arxiv","version":2}},"canonical_sha256":"82d6100181287e4106722400778bf41f36786f5c5f657277827067e7c3dfee7f","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"82d6100181287e4106722400778bf41f36786f5c5f657277827067e7c3dfee7f","first_computed_at":"2026-05-18T02:08:58.165899Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T02:08:58.165899Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"8ICZhNRyphbvmlol9V8u53UTdetReFka5uyIs0mNkzsLvoPQI5XH4eR9mC8EhQtYpbuCJklgbsDyEGREv7teBA==","signature_status":"signed_v1","signed_at":"2026-05-18T02:08:58.166709Z","signed_message":"canonical_sha256_bytes"},"source_id":"1002.4117","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:cb8a8aae8c087553c2b5d301d331a5cd986ecf42e96a295e3a7e006f9366468d","sha256:52add2a6c04caaaf25714ca291155614d1cd1b634f79e95a42aa620db7f0f450"],"state_sha256":"bc2f1c99b1e2d93aa8ac8eac9ef0de1bd36ca8ecdc6102faabc13d99ffba28ea"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"bYIes8ieL2qFOF5pegkD1Ob/Dej+cBYdYQoB8DH967plvEFWZeqMrdHlPBN5WH8yWmPncym2NsEXdscKTnQCDQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-05-31T03:49:20.672280Z","bundle_sha256":"290905eb33a14689a709bcc760fa506103b3ab52dd4d6c57e73481e5eaebe989"}}