{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2012:45LHGSM2777UXW7T5GPYJKLYFQ","short_pith_number":"pith:45LHGSM2","schema_version":"1.0","canonical_sha256":"e75673499affff4bdbf3e99f84a9782c3fdcac25d2a1086af659e41bad43248d","source":{"kind":"arxiv","id":"1211.4261","version":3},"attestation_state":"computed","paper":{"title":"Non-linear eigensolver-based alternative to traditional SCF methods","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.mes-hall","cond-mat.mtrl-sci","physics.chem-ph"],"primary_cat":"physics.comp-ph","authors_text":"Brendan Gavin, Eric Polizzi","submitted_at":"2012-11-18T21:44:54Z","abstract_excerpt":"The self-consistent procedure in electronic structure calculations is revisited using a highly efficient and robust algorithm for solving the non-linear eigenvector problem i.e. H({{\\psi}}){\\psi} = E{\\psi}. This new scheme is derived from a generalization of the FEAST eigenvalue algorithm to account for the non-linearity of the Hamiltonian with the occupied eigenvectors. Using a series of numerical examples and the DFT-Kohn/Sham model, it will be shown that our approach can outperform the traditional SCF mixing-scheme techniques by providing a higher converge rate, convergence to the correct s"},"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":"1211.4261","kind":"arxiv","version":3},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.comp-ph","submitted_at":"2012-11-18T21:44:54Z","cross_cats_sorted":["cond-mat.mes-hall","cond-mat.mtrl-sci","physics.chem-ph"],"title_canon_sha256":"b0dbd3e7b630853b1842c44d367253881bb5df99579fe848e27ef1ccf2ba42ab","abstract_canon_sha256":"6aa5f03d9dc66cef296def4c10efed12a6cf356dfe44e03b09a81dfa03e029e1"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T01:53:03.179044Z","signature_b64":"9gyFDwedR2hWk1mNucxGHgXhW242Sy7HCAjY6+RE5DhxaA2Kh+zQdlc+dUM/2NfJuR4mWsSWxcwMPLnWF0hSDg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"e75673499affff4bdbf3e99f84a9782c3fdcac25d2a1086af659e41bad43248d","last_reissued_at":"2026-05-18T01:53:03.178454Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T01:53:03.178454Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Non-linear eigensolver-based alternative to traditional SCF methods","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.mes-hall","cond-mat.mtrl-sci","physics.chem-ph"],"primary_cat":"physics.comp-ph","authors_text":"Brendan Gavin, Eric Polizzi","submitted_at":"2012-11-18T21:44:54Z","abstract_excerpt":"The self-consistent procedure in electronic structure calculations is revisited using a highly efficient and robust algorithm for solving the non-linear eigenvector problem i.e. H({{\\psi}}){\\psi} = E{\\psi}. This new scheme is derived from a generalization of the FEAST eigenvalue algorithm to account for the non-linearity of the Hamiltonian with the occupied eigenvectors. Using a series of numerical examples and the DFT-Kohn/Sham model, it will be shown that our approach can outperform the traditional SCF mixing-scheme techniques by providing a higher converge rate, convergence to the correct s"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1211.4261","kind":"arxiv","version":3},"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":"1211.4261","created_at":"2026-05-18T01:53:03.178536+00:00"},{"alias_kind":"arxiv_version","alias_value":"1211.4261v3","created_at":"2026-05-18T01:53:03.178536+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1211.4261","created_at":"2026-05-18T01:53:03.178536+00:00"},{"alias_kind":"pith_short_12","alias_value":"45LHGSM2777U","created_at":"2026-05-18T12:26:53.410803+00:00"},{"alias_kind":"pith_short_16","alias_value":"45LHGSM2777UXW7T","created_at":"2026-05-18T12:26:53.410803+00:00"},{"alias_kind":"pith_short_8","alias_value":"45LHGSM2","created_at":"2026-05-18T12:26:53.410803+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/45LHGSM2777UXW7T5GPYJKLYFQ","json":"https://pith.science/pith/45LHGSM2777UXW7T5GPYJKLYFQ.json","graph_json":"https://pith.science/api/pith-number/45LHGSM2777UXW7T5GPYJKLYFQ/graph.json","events_json":"https://pith.science/api/pith-number/45LHGSM2777UXW7T5GPYJKLYFQ/events.json","paper":"https://pith.science/paper/45LHGSM2"},"agent_actions":{"view_html":"https://pith.science/pith/45LHGSM2777UXW7T5GPYJKLYFQ","download_json":"https://pith.science/pith/45LHGSM2777UXW7T5GPYJKLYFQ.json","view_paper":"https://pith.science/paper/45LHGSM2","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=1211.4261&json=true","fetch_graph":"https://pith.science/api/pith-number/45LHGSM2777UXW7T5GPYJKLYFQ/graph.json","fetch_events":"https://pith.science/api/pith-number/45LHGSM2777UXW7T5GPYJKLYFQ/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/45LHGSM2777UXW7T5GPYJKLYFQ/action/timestamp_anchor","attest_storage":"https://pith.science/pith/45LHGSM2777UXW7T5GPYJKLYFQ/action/storage_attestation","attest_author":"https://pith.science/pith/45LHGSM2777UXW7T5GPYJKLYFQ/action/author_attestation","sign_citation":"https://pith.science/pith/45LHGSM2777UXW7T5GPYJKLYFQ/action/citation_signature","submit_replication":"https://pith.science/pith/45LHGSM2777UXW7T5GPYJKLYFQ/action/replication_record"}},"created_at":"2026-05-18T01:53:03.178536+00:00","updated_at":"2026-05-18T01:53:03.178536+00:00"}