Effect of ensemble generalization on the highest-occupied Kohn-Sham eigenvalue
Author:
Affiliation:
1. Department of Materials and Interfaces, Weizmann Institute of Science, Rehovoth 76100, Israel
2. Theoretical Physics IV, University of Bayreuth, 95440 Bayreuth, Germany
Funder
Elite Network of Bavaria
German-Israel Foundation
LevZion Fellowship
Lise Meitner Center for Computational Chemistry
European Research Council (ERC)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4930119
Reference134 articles.
1. Inhomogeneous Electron Gas
2. Self-Consistent Equations Including Exchange and Correlation Effects
3. Density Functional Theory
4. A Primer in Density Functional Theory
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