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  Exciting prospects for solids: Exact-exchange based functionals meet quasiparticle energy calculations

Rinke, P., Qteish, A., Neugebauer, J., & Scheffler, M. (2007). Exciting prospects for solids: Exact-exchange based functionals meet quasiparticle energy calculations. Ψk Newsletter, (79), 163-189. Retrieved from https://psi-k.net/newsletters/.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0011-01A0-8 Version Permalink: https://hdl.handle.net/21.11116/0000-0006-EAF8-B
Genre: Journal Article

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 Creators:
Rinke, Patrick1, Author           
Qteish, Abdallah1, Author           
Neugebauer, Jörg, Author
Scheffler, Matthias1, Author           
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1Theory, Fritz Haber Institute, Max Planck Society, ou_634547              

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 Abstract: Focussing on spectroscopic aspects of semiconductors and insulators we will illustrate how quasiparticle energy calculations in the G0W0 approximation can be successfully combined with density-functional theory calculations in the exact-exchange optimised e ective potential approach (OEPx) to achieve a first principles description of the electronic structure that overcomes the limitations of local or gradiant corrected DFT functionals (LDA and GGA).

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 Dates: 2007-02
 Publication Status: Issued
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 Rev. Type: Peer
 Identifiers: eDoc: 299722
URI: https://psi-k.net/newsletters/
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Title: Ψk Newsletter
Source Genre: Journal
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Pages: - Volume / Issue: (79) Sequence Number: - Start / End Page: 163 - 189 Identifier: -