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  • Hyldgaard, Per, 1964, et al. (author)
  • Interpretation of van der Waals density functionals
  • 2014
  • In: Physical Review B. Condensed Matter and Materials Physics. - : American Physical Society. - 1098-0121 .- 1550-235X .- 2469-9950 .- 2469-9969. ; 90:7
  • Journal article (peer-reviewed)abstract
    • 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 vdW-DF description and analyze the vdW-DF formulation of nonlocal correlation.
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Type of publication
journal article (1)
Type of content
peer-reviewed (1)
Author/Editor
Berland, Kristian, 1 ... (1)
Hyldgaard, Per, 1964 (1)
Schröder, Elsebeth, ... (1)
University
Malmö University (1)
Chalmers University of Technology (1)
Language
English (1)
Research subject (UKÄ/SCB)
Natural sciences (1)
Engineering and Technology (1)
Year
2014 (1)

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