Theoretical Study of the Interaction Potential and the Hyperfine Pressure Shifts in HeH

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Abstract
The interaction of a noble-gas atom with a paramagnetic atom is studied by the use of optimized configuration mixing. It is shown (with actual computation for the helium-hydrogen system) that the optimized mixing of the Hartree-Fock ground state with polarization states is adequate for reproducing the interaction over almost the entire range of the internuclear distance. The computed wave function is used to calculate the hyperfine pressure shift for hydrogen in the atmosphere of helium buffer gas atoms, with results in good agreement with experiment.