Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/5052
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Title: Accurate potential energy curves for HeO‾, NeO‾, and ArO‾ : spectroscopy and transport coefficients
Authors: Viehland, LA
Webb, R
Lee, EPF
Wright, TG
Issue Date: 15-Mar-2005
Source: Journal of chemical physics, 15 Mar. 2005, v. 122, no. 11, 114302, p. 1-8
Abstract: We calculate accurate potential energy curves for HeO‾, NeO‾, and ArO‾, including the full counterpoise correction and allowing for spin–orbit effects. Comparison with previous curves is presented, where these are available. The three curves, ²Σ⁺₁/₂, ²Π₁/₂, and ²Π₃/₂, are used to derive spectroscopic constants and to calculate the transport coefficients for O‾ moving in a bath of the respective rare gas. Conclusions are made based on a comparison with the available data.
Keywords: Potential energy surfaces
Ion mobility
Helium compounds
Neon compounds
Argon compounds
Negative ions
Spin-orbit interactions
Publisher: American Institute of Physics
Journal: Journal of chemical physics 
ISSN: 0021-9606
EISSN: 1089-7690
DOI: 10.1063/1.1861874
Rights: © 2005 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in L. A. Viehland et al., J. Chem. Phys. 122, 114302 (2005) and may be found at http://link.aip.org/link/?jcp/122/114302.
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