{"paper":{"title":"A Phase-Space Electronic Hamiltonian for Molecules in a Static Magnetic Field I: Conservation of Total Pseudomomentum and Angular Momentum","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":"2024-11-21T06:03:00Z","abstract_excerpt":"We develop a phase-space electronic structure theory of molecules in magnetic fields. For a system of electrons in a magnetic field with vector potential $\\bf{A}(\\hat{\\bf{r}})$, the usual Born-Oppenheimer Hamiltonian is the sum of the nuclear kinetic energy and the electronic Hamiltonian, $\\frac{(\\bf{P} - q\\bf{A}(\\bf{X}) )^2}{2M} + \\hat{H}_{e}(\\bf{X})$ (where $q$ is a nuclear charge). To include the effects of coupled nuclear-electron motion in the presence of magnetic field, we propose that the proper phase-space electronic structure Hamiltonian will be of the form $\\frac{(\\bf{P} - q^{\\textit"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2411.13866","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/2411.13866/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"}