97 citations · 1.1k across the 39 of their papers we have counts for
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Electrostatic mechanophores in tuneable light-emitting piezo-polymer nanowires
Luana Persano, Andrea Camposeo, Aleksandr V. Terentjevs +4
Electromechanical coupling through piezoelectric polymer chains allows the emission of organic molecules in active nanowires to be tuned. This effect is evidenced by highly bendabl…
Jellium-with-gap model applied to semilocal kinetic functionals
L. A. Constantin, E. Fabiano, S. Śmiga +1
We investigate a highly-nonlocal generalization of the Lindhard function, given by the jellium-with-gap model. We find a band-gap-dependent gradient expansion of the kinetic energy…
Laplacian-dependent models of the kinetic energy density: Applications in subsystem density functional theory with meta-generalized gradient approximation functionals
S. Śmiga, E. Fabiano, L. A. Constantin +1
The development of semilocal models for the kinetic energy density (KED) is an important topic in density functional theory (DFT). This is especially true for subsystem DFT, where…