699 citations · 4.9k across the 64 of their papers we have counts for
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Are Mobilities in Hybrid Organic-Inorganic Halide Perovskites Actually 'High'?
Thomas M. Brenner, David A. Egger, Andrew M. Rappe +3
We present an experimental and theoretical viewpoint on the electronic carrier mobilities of typical hybrid organic-inorganic perovskites (HOIPs). While these mobilities are often…
Probing the Orbital Origin of Conductance Oscillations in Atomic Chains
Ran Vardimon, Tamar Yelin, Marina Klionsky +4
We investigate periodical oscillations in the conductance of suspended Au and Pt atomic chains during elongation under mechanical stress. Analysis of conductance and shot noise mea…
One-electron self-interaction and the asymptotics of the Kohn-Sham potential: an impaired relation
Tobias Schmidt, Eli Kraisler, Leeor Kronik +1
One-electron self-interaction and an incorrect asymptotic behavior of the Kohn-Sham exchange-correlation potential are among the most prominent limitations of many present-day dens…
Effect of ensemble generalization on the highest-occupied Kohn-Sham eigenvalue
Eli Kraisler, Tobias Schmidt, Stephan Kümmel +1
There are several approximations to the exchange-correlation functional in density-functional theory that accurately predict total energy-related properties of many-electron system…
Elimination of the asymptotic fractional dissociation problem in Kohn-Sham density functional theory using the ensemble-generalization approach
Eli Kraisler, Leeor Kronik
Many approximations within density-functional theory spuriously predict that a many-electron system can dissociate into fractionally charged fragments. Here, we revisit the case of…
Fundamental gaps with approximate density functionals: the derivative discontinuity revealed from ensemble considerations
Eli Kraisler, Leeor Kronik
The fundamental gap is a central quantity in the electronic structure of matter. Unfortunately, the fundamental gap is not generally equal to the Kohn-Sham gap of density functiona…