Pulay forces in density-functional theory with extended Hubbard functionals: From nonorthogonalized to orthogonalized manifolds
Author:
Funder
Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung
Horizon 2020
Publisher
American Physical Society (APS)
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.102.235159/fulltext
Reference100 articles.
1. Inhomogeneous Electron Gas
2. Self-Consistent Equations Including Exchange and Correlation Effects
3. Self-interaction correction to density-functional approximations for many-electron systems
4. Many-electron self-interaction error in approximate density functionals
5. Transition-metal oxides in the self-interaction–corrected density-functional formalism
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