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A method is proposed using pseudopotentials in a self-consistent manner to describe localized configurations such as molecules, surfaces, impurities, vacancies, finite chains of atoms, adsorbates, and solid interfaces. Specific application is made to the Si₂ molecule. The Si₂ energy levels and charge densities are calculated with reasonable accuracy using a plane-wave basis sct.
Cohen et al. (Mon,) studied this question.
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