Semiconductor Charge Densities with Hard-Core and Soft-Core Pseudopotentials
- 5 March 1979
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 42 (10), 662-665
- https://doi.org/10.1103/physrevlett.42.662
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.Keywords
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