956 citations · 2k across the 28 of their papers we have counts for
4 papers · 1 filter
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…
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…
Why magnetism in CeOFFeAs and LaOFFeAs is different
S. Sharma, S. Shallcross, J. K. Dewhurst +4
Using state-of-the-art first-principles calculations we study the magnetic behaviour of CeOFeAs. We find the Ce layer moments oriented perpendicular to those of the Fe layers. An a…
Multiband superconductivity in Pb, H under pressure and CaBeSi from {\it ab-initio} calculations
C. Bersier, A. Floris, P. Cudazzo +10
Superconductivity in Pb, H under extreme pressure and CaBeSi, in the framework of the density functional theory for superconductors, is discussed. A detailed analysis on how the el…