{"paper":{"title":"N$_3^+$: Full-Dimensional Potential Energy Surface, Vibrational Energy Levels and Ground State Dynamics","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Debasish Koner, Evan J. Bieske, Markus Meuwly, Max Schwilk, Sarbani Patra","submitted_at":"2020-04-26T15:01:21Z","abstract_excerpt":"The fundamentals and higher vibrationally excited states for the N$_3^+$ ion in its electronic ground state have been determined from quantum bound state calculations on 3-dimensional potential energy surfaces (PESs) at the CCSD(T)-F12 and MRCI+Q levels of theory. The vibrational fundamentals are at 1130 cm$^{-1}$ ($\\nu_1$, symmetric stretch), 807 cm$^{-1}$ ($\\nu_3$, asymmetric stretch), and 406 cm$^{-1}$ ($\\nu_2$, bend) on the higher-quality CCSD(T)-F12 surface. For $\\nu_1$, the calculations are close to the estimated frequency from experiment (1170 cm$^{-1}$) and previous calculations\\cite{r"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2004.12404","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/2004.12404/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"}