529 citations · 2.3k across the 42 of their papers we have counts for
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cond-mat.mtrl-sci2011★ 64 cited
Range separated functionals in the density functional based tight binding method: Formalism
Thomas A. Niehaus, Fabio Della Sala
A generalization of the density-functional based tight-binding method (DFTB) for the use with range-separated exchange-correlation functionals is presented. It is based on the Gene…
cond-mat.mtrl-sci2011★ 30 cited
Electrostatic Field Driven Alignment of Organic Oligomers on ZnO Surfaces
F. Della Sala, S. Blumstengel, F. Henneberger
We study the physisorption of organic oligomers on the ZnO() surface using first-principles density-functional theory and non-empirical embedding methods. We find that…