{"paper":{"title":"pANO-F12: An atomic natural orbital-inspired route to more compact basis sets for F12 explicitly correlated methods","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Jan M. L. Martin, Vladimir Fishman","submitted_at":"2026-05-21T14:27:32Z","abstract_excerpt":"Explicitly correlated methods such as MP2-F12 and CCSD(F12*) exhibit much faster basis set convergence (asymptotically $\\propto L^{-7}$, with L the highest angular momentum) than orbital-only approaches. Yet it has been pointed out that cc-pVnZ-F12 basis sets themselves are substantially larger than the corresponding cc-pVnZ, and specifically that cc-pVDZ-F12 is the size of cc-pVTZ. One way to generate compact basis sets in an orbital-only context are Atomic Natural Orbital (ANO) basis sets [J. Alml\\\"of and P. R. Taylor, JCP 86, 4070 (1987)]. However, obtaining the required first-order reduced"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2605.22543","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/2605.22543/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"}