{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2014:XOWM6GL5Q24R2OQ24IVMABWOM2","short_pith_number":"pith:XOWM6GL5","schema_version":"1.0","canonical_sha256":"bbaccf197d86b91d3a1ae22ac006ce669ea97a2d4a6c4fe3d9ef71ababeaedcf","source":{"kind":"arxiv","id":"1409.6196","version":1},"attestation_state":"computed","paper":{"title":"First-Principles Description of Charge Transfer in Donor-Acceptor Compounds from Self-Consistent Many-Body Perturbation Theory","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.chem-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Angel Rubio, Fabio Caruso, Matthias Scheffler, Patrick Rinke, Viktor Atalla, Xinguo Ren","submitted_at":"2014-09-22T15:20:48Z","abstract_excerpt":"We investigate charge transfer in prototypical molecular donor-acceptor compounds using hybrid density functional theory (DFT) and the GW approximation at the perturbative level (G0W0) and at full self-consistency (sc-GW). For the systems considered here, no charge transfer should be expected at large intermolecular separation according to photoemission experiment and accurate quantum-chemistry calculations. The capability of hybrid exchange-correlation functionals of reproducing this feature depends critically on the fraction of exact exchange $\\alpha$, as for small values of $\\alpha$ spuriou"},"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":"1409.6196","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2014-09-22T15:20:48Z","cross_cats_sorted":["physics.chem-ph"],"title_canon_sha256":"47e2d5c344c320f889ceafe559070a90f73d0e7b8b7434774c7d2c2048aba6f9","abstract_canon_sha256":"add869c08e0fbd1cb7757e1d2954e828b33527204eeaa229e860b8d1a9d22137"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T02:42:13.638086Z","signature_b64":"16I+EY2/1dl+bQx7AD6iSPWWDBibL3o/OskLz4gyifPutv4w1k5cjl38nK8zjEVrA4Czk7m1n8waV7BYmXzhCw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"bbaccf197d86b91d3a1ae22ac006ce669ea97a2d4a6c4fe3d9ef71ababeaedcf","last_reissued_at":"2026-05-18T02:42:13.637543Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T02:42:13.637543Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"First-Principles Description of Charge Transfer in Donor-Acceptor Compounds from Self-Consistent Many-Body Perturbation Theory","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.chem-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Angel Rubio, Fabio Caruso, Matthias Scheffler, Patrick Rinke, Viktor Atalla, Xinguo Ren","submitted_at":"2014-09-22T15:20:48Z","abstract_excerpt":"We investigate charge transfer in prototypical molecular donor-acceptor compounds using hybrid density functional theory (DFT) and the GW approximation at the perturbative level (G0W0) and at full self-consistency (sc-GW). For the systems considered here, no charge transfer should be expected at large intermolecular separation according to photoemission experiment and accurate quantum-chemistry calculations. The capability of hybrid exchange-correlation functionals of reproducing this feature depends critically on the fraction of exact exchange $\\alpha$, as for small values of $\\alpha$ spuriou"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1409.6196","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":"1409.6196","created_at":"2026-05-18T02:42:13.637623+00:00"},{"alias_kind":"arxiv_version","alias_value":"1409.6196v1","created_at":"2026-05-18T02:42:13.637623+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1409.6196","created_at":"2026-05-18T02:42:13.637623+00:00"},{"alias_kind":"pith_short_12","alias_value":"XOWM6GL5Q24R","created_at":"2026-05-18T12:28:57.508820+00:00"},{"alias_kind":"pith_short_16","alias_value":"XOWM6GL5Q24R2OQ2","created_at":"2026-05-18T12:28:57.508820+00:00"},{"alias_kind":"pith_short_8","alias_value":"XOWM6GL5","created_at":"2026-05-18T12:28:57.508820+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/XOWM6GL5Q24R2OQ24IVMABWOM2","json":"https://pith.science/pith/XOWM6GL5Q24R2OQ24IVMABWOM2.json","graph_json":"https://pith.science/api/pith-number/XOWM6GL5Q24R2OQ24IVMABWOM2/graph.json","events_json":"https://pith.science/api/pith-number/XOWM6GL5Q24R2OQ24IVMABWOM2/events.json","paper":"https://pith.science/paper/XOWM6GL5"},"agent_actions":{"view_html":"https://pith.science/pith/XOWM6GL5Q24R2OQ24IVMABWOM2","download_json":"https://pith.science/pith/XOWM6GL5Q24R2OQ24IVMABWOM2.json","view_paper":"https://pith.science/paper/XOWM6GL5","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=1409.6196&json=true","fetch_graph":"https://pith.science/api/pith-number/XOWM6GL5Q24R2OQ24IVMABWOM2/graph.json","fetch_events":"https://pith.science/api/pith-number/XOWM6GL5Q24R2OQ24IVMABWOM2/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/XOWM6GL5Q24R2OQ24IVMABWOM2/action/timestamp_anchor","attest_storage":"https://pith.science/pith/XOWM6GL5Q24R2OQ24IVMABWOM2/action/storage_attestation","attest_author":"https://pith.science/pith/XOWM6GL5Q24R2OQ24IVMABWOM2/action/author_attestation","sign_citation":"https://pith.science/pith/XOWM6GL5Q24R2OQ24IVMABWOM2/action/citation_signature","submit_replication":"https://pith.science/pith/XOWM6GL5Q24R2OQ24IVMABWOM2/action/replication_record"}},"created_at":"2026-05-18T02:42:13.637623+00:00","updated_at":"2026-05-18T02:42:13.637623+00:00"}