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

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    robert.degille
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    In the context of DFT, Jacob’s ladder is a ladder where each rung represents a method of calculating the exchange correlation functional. Moving up the rungs provides additional terms which bring the approximation closer to the true value, but also increases the computational complexity required. The most appropriate rung to choose when performing a DFT calculation depends on the level of accuracy required and the complexity of the system under consideration.

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