{"paper":{"title":"Full-Dimensional Reactive Potential Energy Surfaces for OCS$^+$ $\\rightarrow$ CO+S$^+$ Dissociation: Ground and Excited States","license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Cangtao Yin, Markus Meuwly, Stefan Willitsch","submitted_at":"2026-05-14T09:35:50Z","abstract_excerpt":"Full-dimensional reactive potential energy surfaces (PESs) for the OCS$^+$ cation are constructed to describe S$^+$ loss in the electronic ground state and seven low-lying electronically excited states. High-level \\textit{ab initio} reference energies were computed at the MRCI+Q/aug-cc-pVTZ level and were used to generate PESs employing reproducing kernel Hilbert space representations (RKHS). The PESs accurately reproduce the measured dissociation limits to CO(X$^1\\Sigma^+$)+S$^+$ in different electronic states. The topology of the PESs reveals multiple linear and T-shaped minima, pronounced a"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2605.14617","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"}