The Kohn–Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn–Sham orbital energies
Author:
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2013/CP/C3CP52547C
Reference106 articles.
1. Self-Consistent Equations Including Exchange and Correlation Effects
2. Fractional charge perspective on the band gap in density-functional theory
3. The analog of Koopmans’ theorem for virtual Kohn–Sham orbital energies
4. Koopmans’ springs to life
5. Tuned Range-Separated Hybrids in Density Functional Theory
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