{"paper":{"title":"A fully {\\it ab initio} potential curve of near-spectroscopic quality for the OH^- anion: importance of connected quadruple excitations and scalar relativistic effects","license":"","headline":"","cross_cats":["physics.ao-ph","physics.plasm-ph","physics.space-ph"],"primary_cat":"physics.chem-ph","authors_text":"Jan M.L. Martin","submitted_at":"2000-03-16T17:32:31Z","abstract_excerpt":"A benchmark study has been carried out on the ground-state potential curve of the hydroxyl anion, OH^{-}, including detailed calibration of both the 1-particle and n-particle basis sets. The CCSD(T) basis set limit overestimates $\\omega_e$ by about 10 cm^{-1}, which is only remedied by inclusion of connected quadruple excitations in the coupled cluster expansion --- or, equivalently, the inclusion of the $2\\pi$ orbitals in the active space of a multireference calculation. Upon inclusion of scalar relativistic effects (-3 cm^{-1} on $\\omega_e$), a potential curve of spectroscopic quality (sub-c"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"physics/0003039","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"}