433 citations · 454 across the 6 of their papers we have counts for
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Protective Coating Interfaces for perovskite Solar Cell Materials: A first Principles Study
Azimatu Fangnon, Marc Dvorak, Ville Havu +3
The protection of halide perovskites is important for the performance and stability of emergent perovskite-based optoelectronic technologies. In this work, we investigate the poten…
Atomic and electronic structure of cesium lead triiodide surfaces
Azimatu Seidu, Marc Dvorak, Patrick Rinke +1
The (001) surface of the emerging photovoltaic material cesium lead triiodide (CsPbI3 ) is studied. Using first-principles methods, we investigate the atomic and electronic structu…
A balanced treatment of static and dynamic correlation in free- and Mg-porphyrin
Marc Dvorak, Patrick Rinke
We present an ab-initio dynamical configuration interaction (DCI) study of free- and Mg-porphyrin. DCI is a recently developed active space theory based on the Löwdin downfolding t…
The GW compendium: A practical guide to theoretical photoemission spectroscopy
Dorothea Golze, Marc Dvorak, Patrick Rinke
The GW approximation in electronic structure theory has become a widespread tool for predicting electronic excitations in chemical compounds and materials. In the realm of theoreti…