{"paper":{"title":"Ab initio potential curves for the X $^2 \\Sigma_{u}^+$ and B $^2 \\Sigma_{g}^+$ states of Be$_{2}^+$: Existence of a double minimum","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.atom-ph"],"primary_cat":"physics.chem-ph","authors_text":"H. Harvey Michels, Jason N. Byrd, John A. Montgomery, jr, Robin C\\^ot\\'e, Sandipan Banerjee","submitted_at":"2010-06-18T21:52:31Z","abstract_excerpt":"We report ab initio calculations of the X $^2 \\Sigma_{u}^+ $ and B $^2 \\Sigma_{g}^+$ states of the Be$_{2}^+$ dimer. Full valence configuration interaction calculations were performed using the aug-cc-pVnZ basis sets and the results were extrapolated to the CBS limit. Core-core, core-valence effects are included at the CCSDT/MTsmall level of theory. Two local minima, separated by a large barrier, are found in the expected repulsive B $^2 \\Sigma_{g}^+$ state. Spectroscopic constants have been calculated and good agreement is found with the recent measurements of Merritt et al. Bound vibrational"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1006.3818","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":""},"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"}