179 citations · 433 across the 12 of their papers we have counts for
6 papers · 1 filter
The Einstein-de Haas Effect in an Cluster
T. Wells, W. M. C. Foulkes, S. L. Dudarev +1
Classical models of spin-lattice coupling are at present unable to accurately reproduce results for numerous properties of ferromagnetic materials, such as heat transport coefficie…
Accelerating GW calculations through machine learned dielectric matrices
Mario G. Zauchner, Andrew Horsfield, Johannes Lischner
The GW approach produces highly accurate quasiparticle energies, but its application to large systems is computationally challenging, which can be largely attributed to the difficu…
The electron elevator: excitations across the band gap via a dynamical gap state?
A. Lim, W. M. C. Foulkes, A. P. Horsfild +4
We have used time-dependent density functional theory to study self-irradiated Si. We calculate the electronic stopping power of Si in Si by evaluating the energy transferred to th…
Hyperfine structure of Sc@C82 from ESR and DFT
G. W. Morley, B. J. Herbert, S. M. Lee +10
The electron spin g- and hyperfine tensors of the endohedral metallofullerene Sc@C82 are anisotropic. Using electron spin resonance (ESR) and density functional theory (DFT), we ca…
Robust non-adiabatic molecular dynamics for metals and insulators
L. Stella, M. Meister, A. J. Fisher +1
We present a new formulation of the correlated electron-ion dynamics (CEID) scheme, which systematically improves Ehrenfest dynamics by including quantum fluctuations around the me…
The transfer of energy between electrons and ions in solids
A. P. Horsfield, D. R. Bowler, H. Ness +3
In this review we consider those processes in condensed matter that involve the irreversible flow of energy between electrons and nuclei that follows from a system being taken out…