Perdew-Zunger self-interaction correction: How wrong for uniform densities and large-Z atoms?
Author:
Affiliation:
1. Department of Physics, Temple University, Philadelphia, Pennsylvania 19122, USA
2. Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122, USA
Funder
National Science Foundation
U.S. Department of Energy
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/1.5090534
Reference31 articles.
1. Self-Consistent Equations Including Exchange and Correlation Effects
2. Density functional theory: Its origins, rise to prominence, and future
3. Strongly Constrained and Appropriately Normed Semilocal Density Functional
4. Accurate and simple analytic representation of the electron-gas correlation energy
5. Self-interaction correction to density-functional approximations for many-electron systems
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