Abstract
Bulk Si valence charge densities calculated in a completely parallel manner for a traditional weak pseudopotential, a pseudopotential with a strongly repulsive core, and the full potential are compared. The second and third are in excellent agreement, while the first displays a somewhat modified bond-charge shape.
- Received 11 December 1978
DOI:https://doi.org/10.1103/PhysRevLett.42.662
©1979 American Physical Society