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A perturbation calculation, valid in the limit of large separations, of various properties of the 1sσ and 2pσ states of HeH2+ is carried out. The total energy and the kinetic and potential energies are calculated to the fifth order, the dipole moments to the third order and the quadrupole moments to the second order. The results are compared with those obtained using exact and variationally determined two-centre wave functions and also with those obtained from an approximate application of perturbation theory and it is shown that perturbation calculations of molecular properties are capable of high accuracy over a wide range of nuclear separations.
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Dalgarno et al. (1956) studied this question.
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