Abstract
Valence bond, SCF, and MP4SDQ calculations are reported for three low lying states of the HeO+ molecular ion; 4Σ(4S), 2Π(2D), and 2Π(2P). Together with the two-temperature theory of ion transport, these interaction potentials have been used to calculate the drift velocity and reduced mobility of O+ in helium as a function of the electric field to gas number density ratio. The calculated HeO+(4Σ) interaction potentials adequately describe the mobility of ground state O+ in helium, however, the O+(2D) mobility calculated using the 2Π(2D) interaction potential does not match the experimental mobility measurements for the metastable O+* ion which have been reported as the O+(2D) state. An interaction potential is reported for HeO+[2Π(2P)] which will reproduce the experimental mobility of O+*.
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