956 citations · 6.7k across the 107 of their papers we have counts for
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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…
Enhancing and controlling single-atom high-harmonic generation spectra: a time-dependent density-functional scheme
Alberto Castro, Angel Rubio, E. K. U. Gross
High harmonic generation (HHG) provides a flexible framework for the development of coherent light sources in the extreme-ultraviolet and soft x-ray regimes. However it suffers fro…
Controlling observables in time-dependent quantum transport
K. J. Pototzky, E. K. U. Gross
The theory of time-dependent quantum transport addresses the question: How do electrons flow through a junction under the influence of an external perturbation as time goes by? In…
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…
First-principles study of superconducting Rare-earth doped CaFe2As2
A. Sanna, G. Profeta, S. Massidda +1
We report a systematic and ab-initio electronic structure calculation of Ca0.75 M0.25 Fe2 As2 with M = Ca, Sr, Eu, La, Ce, Pr, Nd, Pm, Sm, Na, K, Rb. The recently reported experime…
How to interpret the spectral density of the Keldysh nonequilibrium Green's function
K. J. Pototzky, E. K. U. Gross
This paper is devoted to the study and interpretation of the spectral function of the Keldysh nonequilibrium Green's function. The spatial diagonal of the spectr…