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Kohn-Sham DFT

Also known as Density functional theory, KS-DFT. This is the canonical page; those names redirect here.

DFT in chemistry means the Kohn-Sham formulation, but the bare synonym 'DFT' is left with the discrete Fourier transform to avoid an ambiguous redirect.

Pairings in the atlas

Rivals: other methods for the same problems

Where it sits

computational-chemistry · Computational Biology & Chemistry