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

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    nvrafelg
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    Jacob’s ladder provides a guide for researchers when choosing a certain functional. If you want more accuracy, then you would need a functional high on the ladder, but if computational cost is more important then LDA or GGA is better.

    It is also more efficient to build upon earlier less accurate, but established functionals to find more accurate functionals, with the goal of finding the true divine exchange correlation functional.

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