{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2024:4T4GRDCY4WGS6MS6BKI2MI3E2K","short_pith_number":"pith:4T4GRDCY","schema_version":"1.0","canonical_sha256":"e4f8688c58e58d2f325e0a91a62364d28a2e3f61a43df538ead6361a3cba7f6e","source":{"kind":"arxiv","id":"2411.13879","version":2},"attestation_state":"computed","paper":{"title":"A Phase-Space Electronic Hamiltonian for Molecules in a Static Magnetic Field II: Quantum Chemistry Calculations with Gauge Invariant Atomic Orbitals","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Jonathan Rawlinson, Joseph E. Subotnik, Mansi Bhati, Robert Littlejohn, Xuezhi Bian, Zhen Tao","submitted_at":"2024-11-21T06:31:45Z","abstract_excerpt":"In a companion paper, we have developed a phase-space electronic structure theory of molecules in magnetic fields, whereby the electronic energy levels arise from diagonalizing a phase-space Hamiltonian $\\hat H_{PS}(\\bf{X},\\bf{\\Pi})$ that depends parametrically on nuclear position and momentum. The resulting eigenvalues are translationally invariant; moreover, if the magnetic field is in the $z-$direction, then the eigenvalues are also invariant to rotations around the $z-$direction. However, like all Hamiltonians in a magnetic field, the theory has a gauge degree of freedom (corresponding to "},"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":"2411.13879","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-11-21T06:31:45Z","cross_cats_sorted":[],"title_canon_sha256":"3581ea83616e387c5afff241d99064f5612ccb1808bf7744bfe87e9f570545ad","abstract_canon_sha256":"471933bb3f51b3915992cf95542e32a29508e62911c8cd067d670ab5beeb7044"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T09:39:11.023231Z","signature_b64":"L8EU6ds2FFaoP63RdyDx8mWOeTkDsSimrFMn8hW00fJzn+xLKpmuc0IaDIqOPsEbRw53y+h5eiUhH1D9jkfODA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"e4f8688c58e58d2f325e0a91a62364d28a2e3f61a43df538ead6361a3cba7f6e","last_reissued_at":"2026-07-05T09:39:11.022855Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T09:39:11.022855Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"A Phase-Space Electronic Hamiltonian for Molecules in a Static Magnetic Field II: Quantum Chemistry Calculations with Gauge Invariant Atomic Orbitals","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Jonathan Rawlinson, Joseph E. Subotnik, Mansi Bhati, Robert Littlejohn, Xuezhi Bian, Zhen Tao","submitted_at":"2024-11-21T06:31:45Z","abstract_excerpt":"In a companion paper, we have developed a phase-space electronic structure theory of molecules in magnetic fields, whereby the electronic energy levels arise from diagonalizing a phase-space Hamiltonian $\\hat H_{PS}(\\bf{X},\\bf{\\Pi})$ that depends parametrically on nuclear position and momentum. The resulting eigenvalues are translationally invariant; moreover, if the magnetic field is in the $z-$direction, then the eigenvalues are also invariant to rotations around the $z-$direction. However, like all Hamiltonians in a magnetic field, the theory has a gauge degree of freedom (corresponding to "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2411.13879","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":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2411.13879/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":"2411.13879","created_at":"2026-07-05T09:39:11.022914+00:00"},{"alias_kind":"arxiv_version","alias_value":"2411.13879v2","created_at":"2026-07-05T09:39:11.022914+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2411.13879","created_at":"2026-07-05T09:39:11.022914+00:00"},{"alias_kind":"pith_short_12","alias_value":"4T4GRDCY4WGS","created_at":"2026-07-05T09:39:11.022914+00:00"},{"alias_kind":"pith_short_16","alias_value":"4T4GRDCY4WGS6MS6","created_at":"2026-07-05T09:39:11.022914+00:00"},{"alias_kind":"pith_short_8","alias_value":"4T4GRDCY","created_at":"2026-07-05T09:39:11.022914+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/4T4GRDCY4WGS6MS6BKI2MI3E2K","json":"https://pith.science/pith/4T4GRDCY4WGS6MS6BKI2MI3E2K.json","graph_json":"https://pith.science/api/pith-number/4T4GRDCY4WGS6MS6BKI2MI3E2K/graph.json","events_json":"https://pith.science/api/pith-number/4T4GRDCY4WGS6MS6BKI2MI3E2K/events.json","paper":"https://pith.science/paper/4T4GRDCY"},"agent_actions":{"view_html":"https://pith.science/pith/4T4GRDCY4WGS6MS6BKI2MI3E2K","download_json":"https://pith.science/pith/4T4GRDCY4WGS6MS6BKI2MI3E2K.json","view_paper":"https://pith.science/paper/4T4GRDCY","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=2411.13879&json=true","fetch_graph":"https://pith.science/api/pith-number/4T4GRDCY4WGS6MS6BKI2MI3E2K/graph.json","fetch_events":"https://pith.science/api/pith-number/4T4GRDCY4WGS6MS6BKI2MI3E2K/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/4T4GRDCY4WGS6MS6BKI2MI3E2K/action/timestamp_anchor","attest_storage":"https://pith.science/pith/4T4GRDCY4WGS6MS6BKI2MI3E2K/action/storage_attestation","attest_author":"https://pith.science/pith/4T4GRDCY4WGS6MS6BKI2MI3E2K/action/author_attestation","sign_citation":"https://pith.science/pith/4T4GRDCY4WGS6MS6BKI2MI3E2K/action/citation_signature","submit_replication":"https://pith.science/pith/4T4GRDCY4WGS6MS6BKI2MI3E2K/action/replication_record"}},"created_at":"2026-07-05T09:39:11.022914+00:00","updated_at":"2026-07-05T09:39:11.022914+00:00"}