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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 Si/sub 2/ molecule. The Si/sub 2/ energy levels and charge densities are calculated with reasonable accuracy using a plane-wave basis set. (auth)

Self-consistent pseudopotential method for localized configurations: Molecules