{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2012:2QUYCUUJASWLMBBNZLD3KZBZFH","short_pith_number":"pith:2QUYCUUJ","schema_version":"1.0","canonical_sha256":"d42981528904acb6042dcac7b5643929efc3831403556913d669aabba9748ca6","source":{"kind":"arxiv","id":"1204.1522","version":1},"attestation_state":"computed","paper":{"title":"Assessment of density functional approximations for the hemibonded structure of water dimer radical cation","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.soft","physics.atm-clus","physics.comp-ph"],"primary_cat":"physics.chem-ph","authors_text":"Jeng-Da Chai, Jer-lai Kuo, Ming-Kang Tsai, Piin-Ruey Pan, You-Sheng Lin","submitted_at":"2012-04-06T17:33:02Z","abstract_excerpt":"Due to the severe self-interaction errors associated with some density functional approximations, conventional density functionals often fail to dissociate the hemibonded structure of water dimer radical cation (H2O)2+ into the correct fragments: H2O and H2O+. Consequently, the binding energy of the hemibonded structure (H2O)2+ is not well-defined. For a comprehensive comparison of different functionals for this system, we propose three criteria: (i) The binding energies, (ii) the relative energies between the conformers of the water dimer radical cation, and (iii) the dissociation curves pred"},"verification_status":{"content_addressed":true,"pith_receipt":true,"author_attested":false,"weak_author_claims":0,"strong_author_claims":0,"externally_anchored":false,"storage_verified":false,"citation_signatures":0,"replication_records":0,"graph_snapshot":true,"references_resolved":false,"formal_links_present":false},"canonical_record":{"source":{"id":"1204.1522","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2012-04-06T17:33:02Z","cross_cats_sorted":["cond-mat.soft","physics.atm-clus","physics.comp-ph"],"title_canon_sha256":"407c542e0f6cc0b870ef91d915db3c4e118734ebb6e8c8af1d89b7537b60ca83","abstract_canon_sha256":"93867b138f705c52b4d153b5d2deaa097fe98d04ce7a828c85c525e5d11a3d0b"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T00:37:02.834041Z","signature_b64":"Shn4N0PpMP76n2C5UCPaoXE+zb8YJoKla7Rg4VEQJszZ87uTHgDzhKDqYYTkH+FwKi+ZrdKn7DLZFinV5VifAQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"d42981528904acb6042dcac7b5643929efc3831403556913d669aabba9748ca6","last_reissued_at":"2026-05-18T00:37:02.833591Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T00:37:02.833591Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Assessment of density functional approximations for the hemibonded structure of water dimer radical cation","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.soft","physics.atm-clus","physics.comp-ph"],"primary_cat":"physics.chem-ph","authors_text":"Jeng-Da Chai, Jer-lai Kuo, Ming-Kang Tsai, Piin-Ruey Pan, You-Sheng Lin","submitted_at":"2012-04-06T17:33:02Z","abstract_excerpt":"Due to the severe self-interaction errors associated with some density functional approximations, conventional density functionals often fail to dissociate the hemibonded structure of water dimer radical cation (H2O)2+ into the correct fragments: H2O and H2O+. Consequently, the binding energy of the hemibonded structure (H2O)2+ is not well-defined. For a comprehensive comparison of different functionals for this system, we propose three criteria: (i) The binding energies, (ii) the relative energies between the conformers of the water dimer radical cation, and (iii) the dissociation curves pred"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1204.1522","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"},"aliases":[{"alias_kind":"arxiv","alias_value":"1204.1522","created_at":"2026-05-18T00:37:02.833659+00:00"},{"alias_kind":"arxiv_version","alias_value":"1204.1522v1","created_at":"2026-05-18T00:37:02.833659+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1204.1522","created_at":"2026-05-18T00:37:02.833659+00:00"},{"alias_kind":"pith_short_12","alias_value":"2QUYCUUJASWL","created_at":"2026-05-18T12:26:50.516681+00:00"},{"alias_kind":"pith_short_16","alias_value":"2QUYCUUJASWLMBBN","created_at":"2026-05-18T12:26:50.516681+00:00"},{"alias_kind":"pith_short_8","alias_value":"2QUYCUUJ","created_at":"2026-05-18T12:26:50.516681+00:00"}],"events":[],"event_summary":{},"paper_claims":[],"inbound_citations":{"count":0,"internal_anchor_count":0,"sample":[]},"formal_canon":{"evidence_count":0,"sample":[],"anchors":[]},"links":{"html":"https://pith.science/pith/2QUYCUUJASWLMBBNZLD3KZBZFH","json":"https://pith.science/pith/2QUYCUUJASWLMBBNZLD3KZBZFH.json","graph_json":"https://pith.science/api/pith-number/2QUYCUUJASWLMBBNZLD3KZBZFH/graph.json","events_json":"https://pith.science/api/pith-number/2QUYCUUJASWLMBBNZLD3KZBZFH/events.json","paper":"https://pith.science/paper/2QUYCUUJ"},"agent_actions":{"view_html":"https://pith.science/pith/2QUYCUUJASWLMBBNZLD3KZBZFH","download_json":"https://pith.science/pith/2QUYCUUJASWLMBBNZLD3KZBZFH.json","view_paper":"https://pith.science/paper/2QUYCUUJ","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=1204.1522&json=true","fetch_graph":"https://pith.science/api/pith-number/2QUYCUUJASWLMBBNZLD3KZBZFH/graph.json","fetch_events":"https://pith.science/api/pith-number/2QUYCUUJASWLMBBNZLD3KZBZFH/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/2QUYCUUJASWLMBBNZLD3KZBZFH/action/timestamp_anchor","attest_storage":"https://pith.science/pith/2QUYCUUJASWLMBBNZLD3KZBZFH/action/storage_attestation","attest_author":"https://pith.science/pith/2QUYCUUJASWLMBBNZLD3KZBZFH/action/author_attestation","sign_citation":"https://pith.science/pith/2QUYCUUJASWLMBBNZLD3KZBZFH/action/citation_signature","submit_replication":"https://pith.science/pith/2QUYCUUJASWLMBBNZLD3KZBZFH/action/replication_record"}},"created_at":"2026-05-18T00:37:02.833659+00:00","updated_at":"2026-05-18T00:37:02.833659+00:00"}