956 citations · 1.3k across the 7 of their papers we have counts for
7 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…