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cond-mat.mtrl-sci2005★ 89 cited
Interaction energies of monosubstituted benzene dimers via nonlocal density functional theory
T. Thonhauser, Aaron Puzder, David C. Langreth
We present density-functional calculations for the interaction energy of monosubstituted benzene dimers. Our approach utilizes a recently developed fully nonlocal correlation energ…
cond-mat.soft2005★ 153 cited
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…