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.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
