Local Modified Becke-Johnson Exchange-Correlation Potential for Interfaces, Surfaces, and Two-Dimensional Materials-Reference-Cited by-同舟云学术

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Local Modified Becke-Johnson Exchange-Correlation Potential for Interfaces, Surfaces, and Two-Dimensional Materials

Published:2020-02-25 Issue:4 Volume:16 Page:2654-2660
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Rauch Tomáš¹^ORCID,Marques Miguel A. L.²³^ORCID,Botti Silvana¹³^ORCID

Affiliation:

1. Institut für Festkörpertheorie und optik, Friedrich-Schiller-Universität Jena, Max-Wien-Platz 1, 07743 Jena, Germany

2. Institut für Physik, Martin-Luther-Universität Halle-Wittenberg, 06120 Halle/Saale, Germany

3. European Theoretical Spectroscopy Facility,

Funder

Deutsche Forschungsgemeinschaft

Volkswagen Foundation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b01147

Reference53 articles.

1. A perspective on surfaces and interfaces

2. Inhomogeneous Electron Gas

3. Self-Consistent Equations Including Exchange and Correlation Effects

4. Generalized Kohn-Sham schemes and the band-gap problem

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