{"paper":{"title":"Transferable Machine Learning of Electronic Hamiltonians with Superposition-of-Atomic-Potentials Features","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Chaoqun Zhang, Christian Venturella, Enzhi Chen, Tianyu Zhu","submitted_at":"2026-06-10T17:01:22Z","abstract_excerpt":"Machine learning (ML) of electronic Hamiltonians offers a unified route to electronic wave functions and physical observables. We introduce a Hamiltonian learning framework built on electronic features derived from the superposition-of-atomic-potentials (SAP) approximation, an efficient self-consistent-field initial guess that captures essential electron-electron screening. SAP quantities define a symmetry-adapted intrinsic atomic orbital learning basis and provide physics-informed inputs to an orbital-based graph neural network that predicts converged Kohn-Sham Fock matrices. To extend the ap"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2606.12326","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":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2606.12326/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"}