{"paper":{"title":"Ab initio properties of the NaLi molecule in the $a^3\\Sigma^+$ electronic state","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.quant-gas","physics.chem-ph","quant-ph"],"primary_cat":"physics.atom-ph","authors_text":"Adam M. Koza, Marcin Gronowski, Micha{\\l} Tomza","submitted_at":"2020-03-26T17:39:46Z","abstract_excerpt":"Ultracold polar and magnetic ${}^{23}$Na${}^6$Li molecules in the rovibrational ground state of the lowest triplet $a^3\\Sigma^+$ electronic state have been recently produced. Here, we calculate the electronic and rovibrational structure of these 14-electron molecules with spectroscopic accuracy ($<0.5\\,$cm$^{-1}$) using state-of-the-art ab initio methods of quantum chemistry. We employ the hierarchy of the coupled-cluster wave functions and Gaussian basis sets extrapolated to the complete basis set limit. We show that the inclusion of higher-level excitations, core-electron correlation, relati"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2003.12051","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/2003.12051/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"}