• Publications
  • Influence
van der Waals density functional for general geometries.
A scheme within density functional theory is proposed that provides a practical way to generalize to unrestricted geometries the method applied with some success to layered geometries [Phys. Rev.Expand
  • 3,342
  • 40
  • PDF
Application of van der Waals density functional to an extended system: adsorption of benzene and naphthalene on graphite.
It is shown that it is now possible to include van der Waals (vdW) interactions via a nonempirical implementation of density functional (DF) theory to describe the correlation energy in electronicExpand
  • 291
  • 4
  • PDF
Stacking interactions and the twist of DNA.
The importance of stacking interactions for the Twist and stability of DNA is investigated using the fully ab initio van der Waals density functional (vdW-DF). Our results highlight the role thatExpand
  • 149
  • 4
Van der Waals density functional for layered structures.
To understand sparse systems, we must account for both strong local atom bonds and weak nonlocal van der Waals forces between atoms separated by empty space. A fully nonlocal functional form [Phys.Expand
  • 460
  • 3
  • PDF
van der Waals forces in density functional theory: a review of the vdW-DF method.
A density functional theory (DFT) that accounts for van der Waals (vdW) interactions in condensed matter, materials physics, chemistry, and biology is reviewed. The insights that led to theExpand
  • 322
  • 3
  • PDF
Exercise Increases Systemic Nitric Oxide Production in Men
Background: Our aim was to compare the effects of exercise on systemic nitric oxide formation, assessed from the urinary excretion rates of nitrate and of cyclic GMP, in endurance-trained andExpand
  • 79
  • 2
Adsorption of phenol on graphite(0001) and α-Al2O3(0001): Nature of van der Waals bonds from first-principles calculations
First-principles calculations of phenol adsorbed on two different surfaces, graphite 0001 and -Al2O3 0001 , are performed with traditional semilocal density functional theory DFT and with a recentlyExpand
  • 68
  • 2
  • PDF
Three-dimensional convection in rectangular domains with horizontal throughflow
Abstract The Rayleigh-Benard convection with a superimposed horizontal shear flow in rectangular domains is treated numerically utilizing a finite difference method and experimentally by applying anExpand
  • 20
  • 2
Erratum: Van der Waals Density Functional for General Geometries [Phys. Rev. Lett. 92, 246401 (2004)]
There was an error in transcribing Fig. 1 into the variables andD. These variables were not contained in the code used in the calculations, and our results were not affected. A corrected version ofExpand
  • 300
  • 1
  • PDF
A density functional for sparse matter.
Sparse matter is abundant and has both strong local bonds and weak nonbonding forces, in particular nonlocal van der Waals (vdW) forces between atoms separated by empty space. It encompasses a broadExpand
  • 344
  • 1
  • PDF