Exchange and correlation potential in silicon
- 14 April 1977
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 10 (7), 987-999
- https://doi.org/10.1088/0022-3719/10/7/009
Abstract
A simple model of non-local exchange and correlation is proposed for the valence bands of silicon which could be used to include non-locality in a pseudopotential calculation. The model was fitted to a calculation of the exchange and correlation energy which went beyond previous calculations in using a dynamic dielectric function. It was found that the Gamma point is sensitive to whether a dynamic interaction is used or not. It is hoped to extend the model to conduction bands.Keywords
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