Abstract

Molecular pseudostates, needed to describe the induced polarization in electron-molecule scattering, are computed by a variation perturbation method. Polarizabilities are obtained as a by-product. The emphasis is put on the definition of an optimal atomic basis set: a new procedure for generating the polarization functions required to complement a standard basis is presented, tested, and discussed. The method is applied to the ground states of CO and NO. The resulting polarizabilities are within 10% of the experimental values, in accordance with the neglect of correlation in the unperturbed state.

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