We develop a density functional treatment of non-interacting abelian anyons, which is capable, in principle, dealing with system large number anyons an external potential. Comparison exact results for few particles shows that the model captures behavior qualitatively and semi-quantitatively, especially vicinity fermionic statistics. then study statistics parameter $1+1/n$, are thought to conden...

In this work we introduce a new semi-implicit second order correction scheme to the kinetic KohnSham lattice model. The new approach is validated by performing realistic exchange-correlation energy calculations of atoms and dimers of the first two rows of the periodic table finding good agreement with the expected values. Additionally we simulate the ethane molecule where we recover the bond le...

A four-component relativistic implementation of Kohn-Sham theory for molecular systems is presented. The implementation is based on a nonredundant exponential parametrization of the Kohn-Sham energy, well suited to studies of molecular static and dynamic properties as well as of total electronic energies. Calculations are presented of the bond lengths and the harmonic and anharmonic vibrational...

The microscopic structure of a silicon vacancy is studied theoretically using first-principles supercell calculations. Both the standard Kohn–Sham local-density approximation (LDA) scheme and the generalized Kohn–Sham screened-exchange local-density approximation (sX-LDA) scheme are used. The latter approximation is expected to improve the description of electronic levels in the gap region subs...

Recent sampling theorems allow for the recovery of operators with bandlimited Kohn-Nirenberg symbols from their response to a single discretely supported identifier signal. The available results are inherently non-local. For example, we show that in order to recover a bandlimited operator precisely, the identifier cannot decay in time nor in frequency. Moreover, a concept of local and discrete ...

Explicit integrators for real-time propagation of time-dependent Kohn-Sham equations are compared regarding their suitability for performing large-scale simulations. Four algorithms are implemented and assessed for both stability and accuracy within a plane-wave pseudopotential framework, employing the adiabatic approximation to the exchange-correlation functional. Simulation results for a sing...

A fundamental property of a quantum system driven by an external field is that when the field is turned off the positions of its response frequencies are independent of the time at which the field is turned off. We show that this leads to an exact condition for the exchange-correlation potential of time-dependent density functional theory. The Kohn-Sham potential typically continues to evolve a...