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

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    laitvo
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    Following the explanation, the DFT Jacob’s ladder represents a set of approximation which grow in complexity. Each uses all information given at lower levels and adds an enhancement for which new data are needed.

    For instance, LDA being the first step only used the electron density, while GGA methods use that values and their gradients. In the penultimate step, the exact exchange will be treated and in the final “rug”, (semi-)exact correlation should be refined on such basis.

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