Home Forums density functional theory XC-functional “Divine” Functional

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    dianabarraza2608
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    Jacob’s ladder applied to DFT, seeks to determine the “divine” functional, this functional would be the one that, starting from the basic functional (LDA) which considers the electronic density, can continue advancing in step-type developments until reaching the functional that can determine the balance and accuracy for both exchange and correlation and flexible to different physical and molecular systems.

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