Breakdown of the ionization potential theorem of density functional theory in mesoscopic systems
Author:
Affiliation:
1. Moscow Institute of Physics and Technology (National Research University), Dolgoprudny, Russian Federation
Funder
Russian Foundation for Basic Research
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0070429
Reference30 articles.
1. Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms
2. Self-Consistent Equations Including Exchange and Correlation Effects
3. Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy
4. Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities
5. Exact differential equation for the density and ionization energy of a many-particle system
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