55 citations · 140 across the 7 of their papers we have counts for
7 papers
Hybrid functionals for periodic systems in the density functional tight-binding method
Tammo van der Heide, Bálint Aradi, Ben Hourahine +2
Screened range-separated hybrid (SRSH) functionals within generalized Kohn-Sham density functional theory (GKS-DFT) have been shown to restore a general asymptot…
Anomalous Ising freezing times
James Denholm, Ben Hourahine
We measure the relaxation time of a square lattice Ising ferromagnet that is quenched to zero-temperature from supercritical initial conditions. We reveal an anomalous and seemingl…
ELSI -- An Open Infrastructure for Electronic Structure Solvers
Victor Wen-zhe Yu, Carmen Campos, William Dawson +16
Routine applications of electronic structure theory to molecules and periodic systems need to compute the electron density from given Hamiltonian and, in case of non-orthogonal bas…
Universal behavior in finite 2D kinetic ferromagnets
James Denholm, Ben Hourahine
We study the time evolution of the two-dimensional kinetic Ising model in finite systems with a non-conserved order parameter, considering nearest-neighbour interactions on the squ…
Optical control of scattering, absorption and lineshape in nanoparticles
Benjamin Hourahine, Francesco Papoff
We find exact conditions for the enhancement or suppression of internal and/or scattered fields and the determination of their spatial distribution or angular momentum through the…
Defect evolution and interplay in n-type InN
Christian Rauch, Filip Tuomisto, Arantxa Vilalta-Clemente +5
The nature and interplay of intrinsic point and extended defects in n-type Si-doped InN epilayers with free carrier concentrations up to 6.6x10E20cm-3 are studied using positron an…
The geometrical nature of optical resonances in nanoparticles
F. Papoff, B. Hourahine
We give a geometrical theory of resonances in Maxwell's equations that generalizes Mie formulae for spheres to any dielectric or metallic particle without sharp edges. We show that…