Home Forums density functional theory XC-functional Jacob’s Ladder

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    ianlesnik
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    Jacob’s ladder is one method being used to improve the DFT approximation of the exchange correlation functional. Rather than completely revising for each new approximation, complexity is progressively added. The first step toward the exchange correlation functional was a homogeneous approximation, which was later improved by incorporating the gradient of the density. Later on more terms, such as the kinetic energy density , will be introduced to the approximate functional to bring it closer to the true functional.

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