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|Title: ||Accurate potential energy curves for HeO‾, NeO‾, and ArO‾: spectroscopy and transport coefficients|
|Authors: ||Viehland, Larry A.|
Lee, Edmond P. F.
Wright, Timothy G.
|Subjects: ||Potential energy surfaces|
|Issue Date: ||15-Mar-2005 |
|Publisher: ||American Institute of Physics|
|Citation: ||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.|
|Description: ||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.|
|Type: ||Journal/Magazine Article|
|ISSN: ||0021-9606 (print)|
|Appears in Collections:||ABCT Journal/Magazine Articles|
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