Construction of transferable spherically averaged electron potentials

  title={Construction of transferable spherically averaged electron potentials},
  author={Kurt Stokbro and Nithaya Chetty and Karsten Wedel Jacobsen and Jens K. N{\o}rskov},
  journal={Journal of Physics: Condensed Matter},
A new scheme for constructing approximate effective electron potentials within density-functional theory is proposed. The scheme consists of calculating the effective potential for a series of reference systems, and then using these potentials to construct the potential of a general system. To make contact with the reference system the neutral-sphere radius of each atom is used. The scheme can simplify calculations with partial wave methods in the atomic-sphere or muffin-tin approximation… 
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