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Mobility of O+ in He and interaction potential of HeO+

机译:O +在He中的迁移率和HeO +的相互作用势

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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. (c) 2006 American Institute of Physics.
机译:据报道,新的实验测量表明了氦气中O +离子在300 K下的迁移率。这些新值的准确性估计为+/- 2.5%,这使它们可以作为对我们从头开始的新ab初始电势的严格测试。使用RCCSD(T)方法进行计算。我们采用了带有对等修正的aug-cc-pV5Z基集,并考虑了自旋-轨道耦合。目前的实验值低于计算值,但只有在电场强度与气体数密度之比的中高值下,差异才具有统计学意义。即使在那儿,它们也只是微不足道的。 (c)2006年美国物理研究所。

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