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Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/5096

Title: Mobility of O⁺ in He and interaction potential of HeO⁺
Authors: Danailov, Danial M.
Brothers, Renee
Viehlanda, Larry A.
Johnsen, Rainer
Wright, Timothy G.
Lee, Edmond P. F.
Subjects: Ion mobility
Ab initio calculations
Coupled cluster calculations
Spin-orbit interactions
Helium compounds
Positive ions
Helium neutral atoms
Oxygen
Issue Date: 28-Aug-2006
Publisher: American Institute of Physics
Citation: Journal of chemical physics, 28 Aug. 2006, v. 125, no. 8, 084309, p. 1-6.
Abstract: New experimental measurements are reported for the mobility of O⁺ ions in He gas at 300 K. The accuracy of these new values is estimated as ±2.5%, which allows them to serve as a stringent test of a new ab initio potential that we have calculated using the RCCSD(T) method. We employed the aug-cc-pV5Z basis set with counterpoise corrections and took spin-orbit coupling into account. The present experimental values lie below the calculated ones, but the difference becomes statistically significant only at moderate and high values of the ratio of the electric field strength to the gas number density; even there they are only marginally significant.
Description: DOI: 10.1063/1.2337634
Rights: © 2006 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 D. M. Danailov et al., J. Chem. Phys. 125, 084309 (2006) and may be found at http://link.aip.org/link/?jcp/125/084309.
Type: Journal/Magazine Article
URI: http://hdl.handle.net/10397/5096
ISSN: 0021-9606 (print)  
1089-7690 (online)
Appears in Collections:ABCT Journal/Magazine Articles

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