Comparison of J-shifting models for rovibrational spectra as applied to the HO2 molecule

Corey Petty, Bill Poirier

Research output: Contribution to journalArticle

7 Scopus citations

Abstract

We perform approximate calculations of the rovibrational energy levels of HO2, using various theory-based J-shifting (JS) schemes, applied to a representative set of J values (total angular momentum). Results are compared both to exact energy levels previously reported by the authors (Chen and Poirier, 2010) [19], as well as to experimentally derived vibrational-state- dependent JS results (Zhang and Smith, 2006) [7]. This study serves both to evaluate and improve upon specific existing JS schemes, as well as to assess the general validity of the JS approach.

Original languageEnglish
Pages (from-to)16-21
Number of pages6
JournalChemical Physics Letters
Volume605-606
DOIs
StatePublished - Jun 17 2014

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