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Dispersion interactions with linear scaling DFT: a study of planar molecules on charged polar surfaces
Dispersion interactions with linear scaling DFT: a study of planar molecules on charged polar surfaces
2010
Lampros Andrinopoulos
Nicholas D. M. Hine
Peter D. Haynes
Arash A. Mostofi
Keywords:
Computational chemistry
Molecule
Atomic physics
Solar cell
Dispersion (optics)
Correlation function
Solar energy
Chemistry
van der Waals force
Polar
Density functional theory
Molecular physics
Materials science
Linear scale
Planar
Correction
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