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cond-mat.soft2004
van der Waals interactions of the benzene dimer: towards treatment of polycyclic aromatic hydrocarbon dimers
S. D. Chakarova, E. Schroder
Although density functional theory (DFT) in principle includes even long-range interactions, standard implementations employ local or semi-local approximations of the interaction e…
cond-mat.mtrl-sci2004
Van der Waals Density Functional for General Geometries
M. Dion, H. Rydberg, E. Schroder +2
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 geometr…