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Accurate solid-state band gaps via screened hybrid electronic structure calculations

Published:2008-07-07 Issue:1 Volume:129 Page:011102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Brothers Edward N.,Izmaylov Artur F.,Normand Jacques O.,Barone Verónica,Scuseria Gustavo E.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.2955460

Reference44 articles.

1. Hybrid functionals based on a screened Coulomb potential

2. Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]

3. Assessment and validation of a screened Coulomb hybrid density functional

4. Efficient hybrid density functional calculations in solids: Assessment of the Heyd–Scuseria–Ernzerhof screened Coulomb hybrid functional

5. Influence of the exchange screening parameter on the performance of screened hybrid functionals

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