Concepedia

Derivation and application of an accurate Kohn-Sham potential with integer discontinuity

J. B. Krieger, Yan Li, G. J. Iafrate

Physics Letters A · 1990 · 207 citations · 16 references

DOI

Concepts

References

16

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

, , +15

A local exchange-correlation potential for the spin polarized case. i

Ulf von Barth, Lars Hedin · Journal of Physics C Solid State Physics · 1972 · 5.4K citations

, , +15

Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy

John P. Perdew, Robert G. Parr, Mel Levy et al. · Physical Review Letters · 1982 · 3K citations

, , +13

Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities

John P. Perdew, Mel Levy · Physical Review Letters · 1983 · 2.5K citations

, , +16

Density-Functional Theory of the Energy Gap

L. J. Sham, M. Schlüter · Physical Review Letters · 1983 · 1.9K citations

, , +14