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cond-mat.soft2010
A van der Waals density functional study of adenine on graphite: Single molecular adsorption and overlayer binding
Kristian Berland, Svetla D. Chakarova-Kack, Valentino R. Cooper +2
The adsorption of an adenine molecule on graphene is studied using a first-principles van der Waals functional (vdW-DF) [Dion et al., Phys. Rev. Lett. 92, 246401 (2004)]. The cohes…
cond-mat.soft2005
Binding Energies in Benzene Dimers: Nonlocal Density Functional Calculations
Aaron Puzder, Maxime Dion, David C. Langreth
The interaction energy and minimum energy structure for different geometries of the benzene dimer has been calculated using the recently developed nonlocal correlation energy funct…