325 citations · 2.2k across the 70 of their papers we have counts for
3 papers · 1 filter
An efficient algorithm for time propagation within time-dependent density functional theory
J. K. Dewhurst, K. Krieger, S. Sharma +1
An efficient algorithm for time propagation of the time-dependent Kohn-Sham equations is presented. The algorithm is based on dividing the Hamiltonian into small time steps and ass…
Calculating electron momentum densities and Compton profiles using the linear tetrahedron method
D. Ernsting, D. Billington, T. D . Haynes +6
A method for computing electron momentum densities and Compton profiles from ab initio calculations is presented. Reciprocal space is divided into optimally-shaped tetrahedra for i…
Laser induced ultrafast demagnetization: an \emph{ab-initio} perspective
K. Krieger, J. K. Dewhurst, P. Elliott +2
Time-dependent density functional theory is implemented in an all electron solid-state code for the case of fully non-collinear spins. We use this to study laser induced demagnetiz…