Abstract

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 ${\mathrm{Si}}_{2}$ molecule. The ${\mathrm{Si}}_{2}$ energy levels and charge densities are calculated with reasonable accuracy using a plane-wave basis sct.

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