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Kohn-Sham Representability


Kohn-Sham representability of an interacting ground-state density is its realization as the density of a noninteracting ground state in a common local potential. Ensemble representability permits positive trace-class density operators of trace one supported on the noninteracting ground eigenspace. For three spinful electrons and a real spin-independent potential v, the noninteracting Hamiltonian is

 H_s(v)=sum_(i=1)^3(-1/2Delta_i+v(r_i)).

The density is spin-summed and has integral 3.


See also

Coulomb Hamiltonian, Ground State, Schrödinger Operator, Trace-Class Operator

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References

Penz, M.; Tellgren, E. I.; Csirik, M. A.; Ruggenthaler, M.; and Laestadius, A. "The Structure of the Density-Potential Mapping. Part I: Standard Density-Functional Theory." ACS Phys. Chem. Au 3, 334-347, 2023. https://doi.org/10.1021/acsphyschemau.2c00069.

Cite this as:

Weisstein, Eric W. "Kohn-Sham Representability." From MathWorld--A Wolfram Resource. https://mathworld.wolfram.com/Kohn-ShamRepresentability.html

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