Title of article
Comparison of J-shifting models for rovibrational spectra as applied to the HO2 molecule
Author/Authors
Petty، نويسنده , , Corey and Poirier، نويسنده , , Bill، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2014
Pages
6
From page
16
To page
21
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.
Journal title
Chemical Physics Letters
Serial Year
2014
Journal title
Chemical Physics Letters
Record number
1936746
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