266 citations · 328 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2012★ 40 cited
Donor and acceptor levels of organic photovoltaic compounds from first principles
Ismaila Dabo, Andrea Ferretti, Cheol-Hwan Park +4
Accurate and efficient approaches to predict the optical properties of organic semiconducting compounds could accelerate the search for efficient organic photovoltaic materials. Ne…
cond-mat.mtrl-sci2011★ 22 cited
Electronic levels and electrical response of periodic molecular structures from plane-wave orbital-dependent calculations
Yanli Li, Ismaila Dabo
Plane-wave electronic-structure predictions based upon orbital-dependent density-functional theory (OD-DFT) approximations, such as hybrid density-functional methods and self-inter…
cond-mat.mtrl-sci2010★ 266 cited
Koopmans' condition for density-functional theory
Ismaila Dabo, Andrea Ferretti, Nicolas Poilvert +3
In approximate Kohn-Sham density-functional theory, self-interaction manifests itself as the dependence of the energy of an orbital on its fractional occupation. This unphysical be…