Communication: A new hybrid exchange correlation functional for band-gap calculations using a short-range Gaussian attenuation (Gaussian-Perdue–Burke

Communication: A new hybrid exchange correlation functional for band-gap calculations using a short-range Gaussian attenuation (Gaussian-Perdue–Burke–Ernzerhof)

Published:2011-08-21 Issue:7 Volume:135 Page:071103
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Song Jong-Won,Yamashita Koichi,Hirao Kimihiko

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.3628522

Reference30 articles.

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3. Band theory and Mott insulators: HubbardUinstead of StonerI

4. Quasiparticle Calculations in Solids

5. Hybrid functionals based on a screened Coulomb potential

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