{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2019:ZP2JJBC2FV6C6UYTFXYECJE4QI","short_pith_number":"pith:ZP2JJBC2","schema_version":"1.0","canonical_sha256":"cbf494845a2d7c2f53132df041249c82378f4d3581ad465b52c3b74a608aa1f2","source":{"kind":"arxiv","id":"1903.05081","version":2},"attestation_state":"computed","paper":{"title":"Propagation of maximally localized Wannier functions in real-time TDDFT","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.chem-ph","physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Dillon C. Yost, Yi Yao, Yosuke Kanai","submitted_at":"2019-03-11T21:44:26Z","abstract_excerpt":"Real-time, time-dependent density functional theory (RT-TDDFT) has gained popularity as a first-principles approach to study a variety of excited-state phenomena such as optical excitations and electronic stopping. Within RT-TDDFT simulations, the gauge freedom of the time-dependent electronic orbitals can be exploited for numerical and scientific convenience while the unitary transformation does not alter physical properties calculated from the quantum dynamics of electrons. Exploiting this gauge freedom, we demonstrate propagation of maximally localized Wannier functions within RT-TDDFT. We "},"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":"1903.05081","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2019-03-11T21:44:26Z","cross_cats_sorted":["physics.chem-ph","physics.comp-ph"],"title_canon_sha256":"00ac66f9d8e43cd7e25366ce0f0341ab112fce768758cb68aac917ed4f4a2e97","abstract_canon_sha256":"8ecd1ce9d4d93b3d9b9d2130cb0dd7c3d36872d68c04440f2c8995ff52772dec"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-17T23:40:03.728081Z","signature_b64":"2CT53IHZARespkDPciMgcH3jU58ZXFNDpqHo/P99iNJeGy//WNb7k4IkeGSRhpK55MC7SXDvKn0luLLWsJFnAQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"cbf494845a2d7c2f53132df041249c82378f4d3581ad465b52c3b74a608aa1f2","last_reissued_at":"2026-05-17T23:40:03.727476Z","signature_status":"signed_v1","first_computed_at":"2026-05-17T23:40:03.727476Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Propagation of maximally localized Wannier functions in real-time TDDFT","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.chem-ph","physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Dillon C. Yost, Yi Yao, Yosuke Kanai","submitted_at":"2019-03-11T21:44:26Z","abstract_excerpt":"Real-time, time-dependent density functional theory (RT-TDDFT) has gained popularity as a first-principles approach to study a variety of excited-state phenomena such as optical excitations and electronic stopping. Within RT-TDDFT simulations, the gauge freedom of the time-dependent electronic orbitals can be exploited for numerical and scientific convenience while the unitary transformation does not alter physical properties calculated from the quantum dynamics of electrons. Exploiting this gauge freedom, we demonstrate propagation of maximally localized Wannier functions within RT-TDDFT. We "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1903.05081","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":"1903.05081","created_at":"2026-05-17T23:40:03.727577+00:00"},{"alias_kind":"arxiv_version","alias_value":"1903.05081v2","created_at":"2026-05-17T23:40:03.727577+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1903.05081","created_at":"2026-05-17T23:40:03.727577+00:00"},{"alias_kind":"pith_short_12","alias_value":"ZP2JJBC2FV6C","created_at":"2026-05-18T12:33:33.725879+00:00"},{"alias_kind":"pith_short_16","alias_value":"ZP2JJBC2FV6C6UYT","created_at":"2026-05-18T12:33:33.725879+00:00"},{"alias_kind":"pith_short_8","alias_value":"ZP2JJBC2","created_at":"2026-05-18T12:33:33.725879+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/ZP2JJBC2FV6C6UYTFXYECJE4QI","json":"https://pith.science/pith/ZP2JJBC2FV6C6UYTFXYECJE4QI.json","graph_json":"https://pith.science/api/pith-number/ZP2JJBC2FV6C6UYTFXYECJE4QI/graph.json","events_json":"https://pith.science/api/pith-number/ZP2JJBC2FV6C6UYTFXYECJE4QI/events.json","paper":"https://pith.science/paper/ZP2JJBC2"},"agent_actions":{"view_html":"https://pith.science/pith/ZP2JJBC2FV6C6UYTFXYECJE4QI","download_json":"https://pith.science/pith/ZP2JJBC2FV6C6UYTFXYECJE4QI.json","view_paper":"https://pith.science/paper/ZP2JJBC2","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=1903.05081&json=true","fetch_graph":"https://pith.science/api/pith-number/ZP2JJBC2FV6C6UYTFXYECJE4QI/graph.json","fetch_events":"https://pith.science/api/pith-number/ZP2JJBC2FV6C6UYTFXYECJE4QI/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/ZP2JJBC2FV6C6UYTFXYECJE4QI/action/timestamp_anchor","attest_storage":"https://pith.science/pith/ZP2JJBC2FV6C6UYTFXYECJE4QI/action/storage_attestation","attest_author":"https://pith.science/pith/ZP2JJBC2FV6C6UYTFXYECJE4QI/action/author_attestation","sign_citation":"https://pith.science/pith/ZP2JJBC2FV6C6UYTFXYECJE4QI/action/citation_signature","submit_replication":"https://pith.science/pith/ZP2JJBC2FV6C6UYTFXYECJE4QI/action/replication_record"}},"created_at":"2026-05-17T23:40:03.727577+00:00","updated_at":"2026-05-17T23:40:03.727577+00:00"}