Quantum mechanical modeling of electronic excitations in metal oxides: Magnesia as a prototype
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference50 articles.
1. Challenges in Modeling Materials Properties Without Experimental Input
2. Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities
3. Density-Functional Theory of the Energy Gap
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5. Electron-hole excitations and optical spectra from first principles
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