{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2016:PI6NEZ6QTYK32UG4B5SKC3VYYW","short_pith_number":"pith:PI6NEZ6Q","schema_version":"1.0","canonical_sha256":"7a3cd267d09e15bd50dc0f64a16eb8c5965a2fcc9c3699ea4da776a4767e6722","source":{"kind":"arxiv","id":"1609.01172","version":1},"attestation_state":"computed","paper":{"title":"Localized operator partitioning method for electronic excitation energies in the time-dependent density functional formalism","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Artur F. Izmaylov, Jayashree Nagesh, Michael J. Frisch, Paul Brumer","submitted_at":"2016-09-05T14:13:19Z","abstract_excerpt":"We extend the localized operator partitioning method (LOPM) [J. Nagesh, A.F. Izmaylov, and P. Brumer, J. Chem. Phys. 142, 084114 (2015)] to the time-dependent density functional theory (TD-DFT) framework to partition molecular electronic energies of excited states in a rigorous manner. A molecular fragment is defined as a collection of atoms using Stratman-Scuseria-Frisch atomic partitioning. A numerically efficient scheme for evaluating the fragment excitation energy is derived employing a resolution of the identity to preserve standard one- and two-electron integrals in the final expressions"},"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":"1609.01172","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2016-09-05T14:13:19Z","cross_cats_sorted":[],"title_canon_sha256":"7c7dfdc98da2f5dd127910696353f04197e142d2acf8110cfcf0fd6e54d60afb","abstract_canon_sha256":"d68e71925102a2edd61f8a2068aca84d2a9f8bbd080805427541f4746bee466a"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T00:35:24.719335Z","signature_b64":"5gQiuxQAHGtu4FnW+mt24xUKpHBOyARMpNiJdYNPOkStN5vm2B4d/mGFSP1abyyuavfE6he3W/yOpLpSyEhOAA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"7a3cd267d09e15bd50dc0f64a16eb8c5965a2fcc9c3699ea4da776a4767e6722","last_reissued_at":"2026-05-18T00:35:24.718900Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T00:35:24.718900Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Localized operator partitioning method for electronic excitation energies in the time-dependent density functional formalism","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Artur F. Izmaylov, Jayashree Nagesh, Michael J. Frisch, Paul Brumer","submitted_at":"2016-09-05T14:13:19Z","abstract_excerpt":"We extend the localized operator partitioning method (LOPM) [J. Nagesh, A.F. Izmaylov, and P. Brumer, J. Chem. Phys. 142, 084114 (2015)] to the time-dependent density functional theory (TD-DFT) framework to partition molecular electronic energies of excited states in a rigorous manner. A molecular fragment is defined as a collection of atoms using Stratman-Scuseria-Frisch atomic partitioning. A numerically efficient scheme for evaluating the fragment excitation energy is derived employing a resolution of the identity to preserve standard one- and two-electron integrals in the final expressions"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1609.01172","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":"1609.01172","created_at":"2026-05-18T00:35:24.718965+00:00"},{"alias_kind":"arxiv_version","alias_value":"1609.01172v1","created_at":"2026-05-18T00:35:24.718965+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1609.01172","created_at":"2026-05-18T00:35:24.718965+00:00"},{"alias_kind":"pith_short_12","alias_value":"PI6NEZ6QTYK3","created_at":"2026-05-18T12:30:39.010887+00:00"},{"alias_kind":"pith_short_16","alias_value":"PI6NEZ6QTYK32UG4","created_at":"2026-05-18T12:30:39.010887+00:00"},{"alias_kind":"pith_short_8","alias_value":"PI6NEZ6Q","created_at":"2026-05-18T12:30:39.010887+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/PI6NEZ6QTYK32UG4B5SKC3VYYW","json":"https://pith.science/pith/PI6NEZ6QTYK32UG4B5SKC3VYYW.json","graph_json":"https://pith.science/api/pith-number/PI6NEZ6QTYK32UG4B5SKC3VYYW/graph.json","events_json":"https://pith.science/api/pith-number/PI6NEZ6QTYK32UG4B5SKC3VYYW/events.json","paper":"https://pith.science/paper/PI6NEZ6Q"},"agent_actions":{"view_html":"https://pith.science/pith/PI6NEZ6QTYK32UG4B5SKC3VYYW","download_json":"https://pith.science/pith/PI6NEZ6QTYK32UG4B5SKC3VYYW.json","view_paper":"https://pith.science/paper/PI6NEZ6Q","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=1609.01172&json=true","fetch_graph":"https://pith.science/api/pith-number/PI6NEZ6QTYK32UG4B5SKC3VYYW/graph.json","fetch_events":"https://pith.science/api/pith-number/PI6NEZ6QTYK32UG4B5SKC3VYYW/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/PI6NEZ6QTYK32UG4B5SKC3VYYW/action/timestamp_anchor","attest_storage":"https://pith.science/pith/PI6NEZ6QTYK32UG4B5SKC3VYYW/action/storage_attestation","attest_author":"https://pith.science/pith/PI6NEZ6QTYK32UG4B5SKC3VYYW/action/author_attestation","sign_citation":"https://pith.science/pith/PI6NEZ6QTYK32UG4B5SKC3VYYW/action/citation_signature","submit_replication":"https://pith.science/pith/PI6NEZ6QTYK32UG4B5SKC3VYYW/action/replication_record"}},"created_at":"2026-05-18T00:35:24.718965+00:00","updated_at":"2026-05-18T00:35:24.718965+00:00"}