{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2026:XZOWYWQ2VNX5KZ56U7F62EIANJ","short_pith_number":"pith:XZOWYWQ2","schema_version":"1.0","canonical_sha256":"be5d6c5a1aab6fd567bea7cbed11006a6ab10d9a4ac7cf83d413a6ec482f392e","source":{"kind":"arxiv","id":"2606.29245","version":1},"attestation_state":"computed","paper":{"title":"QmDFT for Polycyclic Aromatics: Balancing Embedding Ground-State Fidelity and Experimental Gap Estimation","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"quant-ph","authors_text":"N. Manglani, Ranjit Thapa, Samrit Maity, Sanjay Wandhekar, Shashank Sharma, Tejjan Arora","submitted_at":"2026-06-28T07:27:53Z","abstract_excerpt":"Quantum Embedding density functional theory (QmDFT) embedding offers a highly scalable approach to improve treatment for large highly correlated pi conjugated systems. However, estimating advanced electronic structure properties in polycyclic aromatic hydrocarbons (PAHs) needs advanced exchange correlation functionals that frequently trigger convergence instabilities during the embedding cycle.\n  In this work, we introduce an adaptive damping and direct inversion in the iterative subspace (DIIS) accelerated protocol that stabilizes the embedding procedure, enabling robust integration of hybrid"},"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":"2606.29245","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"quant-ph","submitted_at":"2026-06-28T07:27:53Z","cross_cats_sorted":[],"title_canon_sha256":"9b5dcafc03782c6d69b04e81c109ca545650d64acc97b0b570b0de6e9276a092","abstract_canon_sha256":"c11c595fb04e69a7364d8f3fd8f9ba6b1da3cf9ff8da4bce27d7dcbf5ac0834c"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-06-30T01:17:58.791327Z","signature_b64":"r4WZ40Bk66sDSOdEbkYp1SfbhJXuz//wb8unyT11PNVWDAxue972b5LyPzsbEFE1/296r2A70qmCuJlHZZqoCQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"be5d6c5a1aab6fd567bea7cbed11006a6ab10d9a4ac7cf83d413a6ec482f392e","last_reissued_at":"2026-06-30T01:17:58.790851Z","signature_status":"signed_v1","first_computed_at":"2026-06-30T01:17:58.790851Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"QmDFT for Polycyclic Aromatics: Balancing Embedding Ground-State Fidelity and Experimental Gap Estimation","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"quant-ph","authors_text":"N. Manglani, Ranjit Thapa, Samrit Maity, Sanjay Wandhekar, Shashank Sharma, Tejjan Arora","submitted_at":"2026-06-28T07:27:53Z","abstract_excerpt":"Quantum Embedding density functional theory (QmDFT) embedding offers a highly scalable approach to improve treatment for large highly correlated pi conjugated systems. However, estimating advanced electronic structure properties in polycyclic aromatic hydrocarbons (PAHs) needs advanced exchange correlation functionals that frequently trigger convergence instabilities during the embedding cycle.\n  In this work, we introduce an adaptive damping and direct inversion in the iterative subspace (DIIS) accelerated protocol that stabilizes the embedding procedure, enabling robust integration of hybrid"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2606.29245","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":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2606.29245/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"},"aliases":[{"alias_kind":"arxiv","alias_value":"2606.29245","created_at":"2026-06-30T01:17:58.790919+00:00"},{"alias_kind":"arxiv_version","alias_value":"2606.29245v1","created_at":"2026-06-30T01:17:58.790919+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2606.29245","created_at":"2026-06-30T01:17:58.790919+00:00"},{"alias_kind":"pith_short_12","alias_value":"XZOWYWQ2VNX5","created_at":"2026-06-30T01:17:58.790919+00:00"},{"alias_kind":"pith_short_16","alias_value":"XZOWYWQ2VNX5KZ56","created_at":"2026-06-30T01:17:58.790919+00:00"},{"alias_kind":"pith_short_8","alias_value":"XZOWYWQ2","created_at":"2026-06-30T01:17:58.790919+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/XZOWYWQ2VNX5KZ56U7F62EIANJ","json":"https://pith.science/pith/XZOWYWQ2VNX5KZ56U7F62EIANJ.json","graph_json":"https://pith.science/api/pith-number/XZOWYWQ2VNX5KZ56U7F62EIANJ/graph.json","events_json":"https://pith.science/api/pith-number/XZOWYWQ2VNX5KZ56U7F62EIANJ/events.json","paper":"https://pith.science/paper/XZOWYWQ2"},"agent_actions":{"view_html":"https://pith.science/pith/XZOWYWQ2VNX5KZ56U7F62EIANJ","download_json":"https://pith.science/pith/XZOWYWQ2VNX5KZ56U7F62EIANJ.json","view_paper":"https://pith.science/paper/XZOWYWQ2","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=2606.29245&json=true","fetch_graph":"https://pith.science/api/pith-number/XZOWYWQ2VNX5KZ56U7F62EIANJ/graph.json","fetch_events":"https://pith.science/api/pith-number/XZOWYWQ2VNX5KZ56U7F62EIANJ/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/XZOWYWQ2VNX5KZ56U7F62EIANJ/action/timestamp_anchor","attest_storage":"https://pith.science/pith/XZOWYWQ2VNX5KZ56U7F62EIANJ/action/storage_attestation","attest_author":"https://pith.science/pith/XZOWYWQ2VNX5KZ56U7F62EIANJ/action/author_attestation","sign_citation":"https://pith.science/pith/XZOWYWQ2VNX5KZ56U7F62EIANJ/action/citation_signature","submit_replication":"https://pith.science/pith/XZOWYWQ2VNX5KZ56U7F62EIANJ/action/replication_record"}},"created_at":"2026-06-30T01:17:58.790919+00:00","updated_at":"2026-06-30T01:17:58.790919+00:00"}