Polaron hopping through piecewise-linear functionals
Author:
Funder
Centro Svizzero di Calcolo Scientifico
École Polytechnique Fédérale de Lausanne
Publisher
American Physical Society (APS)
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.107.205125/fulltext
Reference125 articles.
1. Polarons in materials
2. Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy
3. Density functionals that are one- and two- are not always many-electron self-interaction-free, as shown for H2+, He2+, LiH+, and Ne2+
4. A challenge for density functionals: Self-interaction error increases for systems with a noninteger number of electrons
5. Degenerate Ground States and a Fractional Number of Electrons in Density and Reduced Density Matrix Functional Theory
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2. Nonempirical semilocal density functionals for correcting the self-interaction of polaronic states;Journal of Applied Physics;2024-04-04
3. On the application of Marcus–Hush theory to small polaron chemical dynamics in oxides: its relationship to the Holstein model and the importance of lattice–orbital symmetries;Physical Chemistry Chemical Physics;2024
4. On the Structure of Oxygen Deficient Amorphous Oxide Films;Advanced Science;2023-12-26
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