2 citations · 2 across the 2 of their papers we have counts for
6 papers
Bethe-Salpeter equation for absorption and scattering spectroscopy: Implementation in the code
Christian Vorwerk, Benjamin Aurich, Caterina Cocchi +1
The Bethe-Salpeter equation for the electron-hole correlation function is the state-of-the-art formalism for optical and core spectroscopy in condensed matter. Solutions of this eq…
Electronic and optical excitations at the pyridine/ZnO(100) hybrid interface
Olga Turkina, Dmitrii Nabok, Andris Gulans +2
By combining all-electron density-functional theory with many-body perturbation theory, we investigate a prototypical inorganic/organic hybrid system, composed of pyridine molecule…
Dimensionality of excitons in stacked van der Waals materials: The example of hexagonal boron nitride
Wahib Aggoune, Caterina Cocchi, Dmitrii Nabok +3
With the example of hexagonal boron nitride, we demonstrate how the character of electron-hole (e-h) pairs in van der Waals bound low-dimensional systems is driven by layer stackin…
Fingerprints of stacking order in graphene layers from ab initio second-order Raman spectra
Albin Hertrich, Caterina Cocchi, Pasquale Pavone +1
We present an \textit{ab initio} study based on density-functional theory of first- and second-order Raman spectra of graphene-based materials with different stacking arrangements…
Exciting core-level spectroscopy
Claudia Draxl, Caterina Cocchi
We delineate an ab initio approach for obtaining x-ray absorption spectra as provided by many-body perturbation theory, together with its realization within an all-electron framewo…
Polymorphism in -sexithiophene crystals: Relative stability and transition path
Bernhard Klett, Caterina Cocchi, Linus Pithan +2
We present a joint theoretical and experimental study to investigate polymorphism in -sexithiophene (6T) crystals. By means of density-functional theory calculations, we clarify…