487 citations · 641 across the 7 of their papers we have counts for
7 papers
Tuning the range separation parameter in periodic systems
Wenfei Li, Vojtech Vlcek, Helen Eisenberg +3
Kohn-Sham DFT with optimally tuned range-separated hybrid (RSH) functionals provides accurate and nonempirical fundamental gaps for a wide variety of finite-size systems. The stand…
Spontaneous charge carrier localization in extended one-dimensional systems
Vojtěch Vlček, Helen R. Eisenberg, Gerd Steinle-Neumann +3
Charge carrier localization in extended atomic systems has been described previously as being driven by disorder, point defects or distortions of the ionic lattice. Here we show fo…
Deviations from piecewise linearity in the solid-state limit with approximate density functionals
Vojtěch Vlček, Helen R. Eisenberg, Gerd Steinle-Neumann +2
In exact density functional theory (DFT) the total ground-state energy is a series of linear segments between integer electron points, a condition known as "piecewise linearity". D…
Fundamental gaps of finite systems from the eigenvalues of a generalized Kohn-Sham method
Tamar Stein, Helen Eisenberg, Leeor Kronik +1
We present a broadly-applicable, physically-motivated first-principles approach to determining the fundamental gap of finite systems. The approach is based on using a range-separat…
A new generalized Kohn-Sham method for fundamental band-gaps in solids
Helen R. Eisenberg, Roi Baer
We developed a method for calculating solid-state ground-state properties and fundamental band-gaps using a generalized Kohn-Sham approach combining a local density approximation (…
The formation, ripening and stability of epitaxially strained island arrays
Helen R. Eisenberg, Daniel Kandel
We study the formation and evolution of coherent islands on lattice mismatched epitaxially strained films. Faceted islands form in films with aniostropic surface tension. Under ann…