96 citations · 96 across the 2 of their papers we have counts for
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cond-mat.mtrl-sci2006★ 96 cited
The Effect of Symmetry Lowering on the Dielectric Response of
Joseph W. Bennett, Ilya Grinberg, Andrew M. Rappe
We use first-principles density functional theory calculations to investigate the dielectric response of BaZrO perovskite. A previous study [Arkbarzadeh {\em et al.} Phys. Rev.…
cond-mat.mtrl-sci2006
Orbital-Specific Modeling of CO Chemisorption
Sara E. Mason, Ilya Grinberg, Andrew M. Rappe
We demonstrate that variations in molecular chemisorption energy on different metals, different surface terminations, and different strain conditions can be accounted for by orbita…