956 citations · 1.3k across the 7 of their papers we have counts for
10 papers
Tailoring laser pulses with spectral and fluence constraints using optimal control theory
J. Werschnik, E. K. U. Gross
Within the framework of optimal control theory we develop a simple iterative scheme to determine optimal laser pulses with spectral and fluence constraints. The algorithm is applie…
Open shells in reduced-density-matrix-functional theory
N. N. Lathiotakis, N. Helbig, E. K. U. Gross
Reduced-density-matrix-functional theory is applied to open-shell systems. We introduce a spin-restricted formulation by appropriately expressing approximate correlation-energy fun…
Electronic non-adiabatic states
Nikitas I. Gidopoulos, E. K. U. Gross
A novel treatment of non-adiabatic couplings is proposed. The derivation starts from the long-known, but not well-known, fact that the wave function of the complete system of elctr…
Time-dependent density functional theory: Past, present, and future
Kieron Burke, Jan Werschnik, E. K. U. Gross
Time-dependent density functional theory (TDDFT) is presently enjoying enormous popularity in quantum chemistry, as a useful tool for extracting electronic excited state energies.…
Optimal control of time-dependent targets
I. Serban, J. Werschnik, E. K. U. Gross
In this work, we investigate how and to which extent a quantum system can be driven along a prescribed path in Hilbert space by a suitably shaped laser pulse. To calculate the opti…
Time-dependent electron localization function
Tobias Burnus, Miguel A. L. Marques, Eberhard K. U. Gross
In this article we present a generalization of the electron localization function (ELF) that can be used to analyze time-dependent processes. The time-dependent ELF allows the time…