Density-functional exchange-energy approximation with correct asymptotic behavior.

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Water and ions in clays: Unraveling the interlayer/micropore exchange using molecular dynamics (2007, methodology): “We have used a gradient corrected approximate exchange-correlation functional, BLYP ( Becke, 1988; Lee et al., 1988), and a plane wave basis-set with a cut-off at 70 Ry. Norm-conserving pseudo-potentials were then used to represent the core electrons and only valence electrons were explicitly treat”