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|Title:||Mobility of O⁺ in He and interaction potential of HeO⁺|
|Authors:||Danailov, Danial M.|
Viehlanda, Larry A.
Wright, Timothy G.
Lee, Edmond P. F.
Ab initio calculations
Coupled cluster calculations
Helium neutral atoms
|Publisher:||American Institute of Physics|
|Source:||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.|
|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.|
|Appears in Collections:||ABCT Journal/Magazine Articles|
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