{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2015:V73FLTHEIQXWUXCI2KY3QAZMSI","short_pith_number":"pith:V73FLTHE","schema_version":"1.0","canonical_sha256":"aff655cce4442f6a5c48d2b1b8032c9223dd7f0a14ac9b734761eb0c6c482148","source":{"kind":"arxiv","id":"1507.03324","version":2},"attestation_state":"computed","paper":{"title":"An efficient basis set representation for calculating electrons in molecules","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["quant-ph"],"primary_cat":"physics.chem-ph","authors_text":"Brant Abeln, Chao Yang, C. William McCurdy, Daniel J. Haxton, Eugene Vecharynski, Francois-Henry Rouet, Jeremiah R. Jones, Keith V. Lawler, Khaled Z. Ibrahim, Samuel Williams, Thomas N. Rescigno, Xiaoye S. Li","submitted_at":"2015-07-13T04:44:35Z","abstract_excerpt":"The method of McCurdy, Baertschy, and Rescigno, J. Phys. B, 37, R137 (2004) is generalized to obtain a straightforward, surprisingly accurate, and scalable numerical representation for calculating the electronic wave functions of molecules. It uses a basis set of product sinc functions arrayed on a Cartesian grid, and yields 1 kcal/mol precision for valence transition energies with a grid resolution of approximately 0.1 bohr. The Coulomb matrix elements are replaced with matrix elements obtained from the kinetic energy operator. A resolution-of-the-identity approximation renders the primitive "},"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":"1507.03324","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2015-07-13T04:44:35Z","cross_cats_sorted":["quant-ph"],"title_canon_sha256":"084f2e7204b2390eae7e9459d95e271d6b7e9a15289df50a2de6623bff5cf4ec","abstract_canon_sha256":"5a8a8709d30ced3f93fd0d09e31629384384a88b25c8332af50faaf3b251f69c"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T01:08:21.114742Z","signature_b64":"DaRJiS5f85TnqcmlKyt3Kwtg85YMR+hiyca9GuzTVC1pbEm+XU7o8wrL/Ma4DmVE0dXjAZbeiCBRweSevBWyDQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"aff655cce4442f6a5c48d2b1b8032c9223dd7f0a14ac9b734761eb0c6c482148","last_reissued_at":"2026-05-18T01:08:21.113929Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T01:08:21.113929Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"An efficient basis set representation for calculating electrons in molecules","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["quant-ph"],"primary_cat":"physics.chem-ph","authors_text":"Brant Abeln, Chao Yang, C. William McCurdy, Daniel J. Haxton, Eugene Vecharynski, Francois-Henry Rouet, Jeremiah R. Jones, Keith V. Lawler, Khaled Z. Ibrahim, Samuel Williams, Thomas N. Rescigno, Xiaoye S. Li","submitted_at":"2015-07-13T04:44:35Z","abstract_excerpt":"The method of McCurdy, Baertschy, and Rescigno, J. Phys. B, 37, R137 (2004) is generalized to obtain a straightforward, surprisingly accurate, and scalable numerical representation for calculating the electronic wave functions of molecules. It uses a basis set of product sinc functions arrayed on a Cartesian grid, and yields 1 kcal/mol precision for valence transition energies with a grid resolution of approximately 0.1 bohr. The Coulomb matrix elements are replaced with matrix elements obtained from the kinetic energy operator. A resolution-of-the-identity approximation renders the primitive "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1507.03324","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"},"aliases":[{"alias_kind":"arxiv","alias_value":"1507.03324","created_at":"2026-05-18T01:08:21.114064+00:00"},{"alias_kind":"arxiv_version","alias_value":"1507.03324v2","created_at":"2026-05-18T01:08:21.114064+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1507.03324","created_at":"2026-05-18T01:08:21.114064+00:00"},{"alias_kind":"pith_short_12","alias_value":"V73FLTHEIQXW","created_at":"2026-05-18T12:29:44.643036+00:00"},{"alias_kind":"pith_short_16","alias_value":"V73FLTHEIQXWUXCI","created_at":"2026-05-18T12:29:44.643036+00:00"},{"alias_kind":"pith_short_8","alias_value":"V73FLTHE","created_at":"2026-05-18T12:29:44.643036+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/V73FLTHEIQXWUXCI2KY3QAZMSI","json":"https://pith.science/pith/V73FLTHEIQXWUXCI2KY3QAZMSI.json","graph_json":"https://pith.science/api/pith-number/V73FLTHEIQXWUXCI2KY3QAZMSI/graph.json","events_json":"https://pith.science/api/pith-number/V73FLTHEIQXWUXCI2KY3QAZMSI/events.json","paper":"https://pith.science/paper/V73FLTHE"},"agent_actions":{"view_html":"https://pith.science/pith/V73FLTHEIQXWUXCI2KY3QAZMSI","download_json":"https://pith.science/pith/V73FLTHEIQXWUXCI2KY3QAZMSI.json","view_paper":"https://pith.science/paper/V73FLTHE","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=1507.03324&json=true","fetch_graph":"https://pith.science/api/pith-number/V73FLTHEIQXWUXCI2KY3QAZMSI/graph.json","fetch_events":"https://pith.science/api/pith-number/V73FLTHEIQXWUXCI2KY3QAZMSI/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/V73FLTHEIQXWUXCI2KY3QAZMSI/action/timestamp_anchor","attest_storage":"https://pith.science/pith/V73FLTHEIQXWUXCI2KY3QAZMSI/action/storage_attestation","attest_author":"https://pith.science/pith/V73FLTHEIQXWUXCI2KY3QAZMSI/action/author_attestation","sign_citation":"https://pith.science/pith/V73FLTHEIQXWUXCI2KY3QAZMSI/action/citation_signature","submit_replication":"https://pith.science/pith/V73FLTHEIQXWUXCI2KY3QAZMSI/action/replication_record"}},"created_at":"2026-05-18T01:08:21.114064+00:00","updated_at":"2026-05-18T01:08:21.114064+00:00"}