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cond-mat.mtrl-sci2010★ 407 cited
Density-based mixing parameter for hybrid functionals
Miguel A. L. Marques, Julien Vidal, Micael J. T. Oliveira +2
A very popular ab-initio scheme to calculate electronic properties in solids is the use of hybrid functionals in density functional theory (DFT) that mixes a portion of Fock exchan…
cond-mat.mtrl-sci2010★ 27 cited
Anomalous Angular Dependence of the Dynamic Structure Factor near Bragg Reflections: Graphite
R. Hambach, C. Giorgetti, N. Hiraoka +5
The electron energy-loss function of graphite is studied for momentum transfers q beyond the first Brillouin zone. We find that near Bragg reflections the spectra can change drasti…