SwePub
Sök i SwePub databas

  Extended search

Träfflista för sökning "id:"swepub:oai:research.chalmers.se:d303cf82-a6e7-490e-92e4-8c14e1f9c49f" "

Search: id:"swepub:oai:research.chalmers.se:d303cf82-a6e7-490e-92e4-8c14e1f9c49f"

  • Result 1-1 of 1
Sort/group result
   
EnumerationReferenceCoverFind
1.
  • Lee, K., et al. (author)
  • Higher-accuracy van der Waals density functional
  • 2010
  • In: Physical Review B - Condensed Matter and Materials Physics. - 2469-9950 .- 2469-9969. ; 82:8
  • Journal article (peer-reviewed)abstract
    • We propose a second version of the van der Waals density functional of Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)], employing a more accurate semilocal exchange functional and the use of a large-N asymptote gradient correction in determining the vdW kernel. The predicted binding energy, equilibrium separation, and potential-energy curve shape are close to those of accurate quantum chemical calculations on 22 duplexes. We anticipate the enabling of chemically accurate calculations in sparse materials of importance for condensed matter, surface, chemical, and biological physics.
  •  
Skapa referenser, mejla, bekava och länka
  • Result 1-1 of 1
Type of publication
journal article (1)
Type of content
peer-reviewed (1)
Author/Editor
Lee, K (1)
Lundqvist, Bengt, 19 ... (1)
Langreth, D.C. (1)
Murray, E. D. (1)
Kong, L. Z. (1)
University
Chalmers University of Technology (1)
Language
English (1)
Research subject (UKÄ/SCB)
Natural sciences (1)
Year
2010 (1)

Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.

 
pil uppåt Close

Copy and save the link in order to return to this view