Interpretation of van der Waals density functionals

  title={Interpretation of van der Waals density functionals},
  author={Per Hyldgaard and Kristian Berland and Elsebeth Schroder},
  journal={Physical Review B},
The nonlocal correlation energy in the van der Waals density functional (vdW-DF) method can be interpreted in terms of a coupling of zero-point energies of characteristic modes of semilocal exchange-correlation (xc) holes. These xc holes reflect the internal functional in the framework of the vdW-DF method. We explore the internal xc hole components, showing that they share properties with those of the generalized-gradient approximation. We use these results to illustrate the nonlocality in the… 

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  • T. Björkman
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  • 2014
Six recently developed exchange functionals for pairing with two different versions of van der Waals density functionals (vdW-DF) are tested for weakly bonded solids, and the overall performance for lattice constants is good.


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