433 citations · 752 across the 13 of their papers we have counts for
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cond-mat.mtrl-sci2020★ 12 cited
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…
cond-mat.mtrl-sci2020★ 1 cited
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…