956 citations · 6.7k across the 107 of their papers we have counts for
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Spectrum of extended systems from Reduced Density Matrix Functional Theory
S. Sharma, S. Shallcross, J. K. Dewhurst +1
We present a method for calculating the spectrum of extended solids within reduced density matrix functional theory. An application of this method to the strongly correlated transi…
Dynamical Coulomb Blockade and the Derivative Discontinuity of Time-Dependent Density Functional Theory
S. Kurth, G. Stefanucci, E. Khosravi +2
The role of the discontinuity of the exchange-correlation potential of density functional theory is studied in the context of electron transport and shown to be intimately related…
Non-collinear spin-spiral phase for the uniform electron gas within Reduced-Density-Matrix-Functional Theory
F. G. Eich, S. Kurth, C. R. Proetto +2
The non-collinear spin-spiral density wave of the uniform electron gas is studied in the framework of Reduced-Density-Matrix-Functional Theory. For the Hartree-Fock approximation,…
Gaussian approximations for the exchange-energy functional of current-carrying states: Applications to two-dimensional systems
S. Pittalis, E. Rasanen, E. K. U. Gross
Electronic structure calculations are routinely carried out within the framework of density-functional theory, often with great success. For electrons in reduced dimensions, howeve…
Femtosecond laser pulse shaping for enhanced ionization
A. Castro, E. Rasanen, A. Rubio +1
We demonstrate how the shape of femtosecond laser pulses can be tailored in order to obtain maximal ionization of atoms or molecules. For that purpose, we have overlayed a direct-o…
Acceleration of quantum optimal control theory algorithms with mixing strategies
Alberto Castro, E. K. U. Gross
We propose the use of mixing strategies to accelerate the convergence of the common iterative algorithms utilized in Quantum Optimal Control Theory (QOCT). We show how the non-line…