Structure and properties of metal-exchanged zeolites studied using gradient-corrected and hybrid functionals. II. Electronic structure and photoluminescence spectra-Reference-Cited by-同舟云学术

Structure and properties of metal-exchanged zeolites studied using gradient-corrected and hybrid functionals. II. Electronic structure and photoluminescence spectra

Published:2012-02-14 Issue:6 Volume:136 Page:064502
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Göltl Florian,Hafner Jürgen

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.3676409

Reference41 articles.

1. Structure and properties of metal-exchanged zeolites studied using gradient-corrected and hybrid functionals. I. Structure and energetics

2. Rationale for mixing exact exchange with density functional approximations

3. Hybrid functionals based on a screened Coulomb potential

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

5. Generalized Gradient Approximation Made Simple

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