57 citations · 276 across the 17 of their papers we have counts for
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cond-mat.mtrl-sci2015★ 16 cited
LayerOptics: Microscopic modeling of optical coefficients in layered materials
Christian Vorwerk, Caterina Cocchi, Claudia Draxl
Theoretical spectroscopy is a powerful tool to describe and predict optical properties of materials. While nowadays routinely performed, first-principles calculations only provide…
cond-mat.mes-hall2015★ 33 cited
Bound excitons and many-body effects in x-ray absorption spectra of azobenzene-functionalized self-assembled monolayers
Caterina Cocchi, Claudia Draxl
We study x-ray absorption spectra of azobenzene-functionalized self-assembled monolayers (SAMs), investigating excitations from the nitrogen K edge. Azobenzene with H-termination a…
cond-mat.mtrl-sci2015★ 51 cited
Optical spectra from molecules to crystals: Insight from many-body perturbation theory
Caterina Cocchi, Claudia Draxl
Time-dependent density-functional theory (TDDFT) often successfully reproduces excitation energies of finite systems, already in the adiabatic local-density approximation (ALDA). H…