Year: 1975
Type: article
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.
Source: Physical review. B, Solid state
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2080236008