Related papers: Current-spin-density functional study of persisten…
Time-dependent density functional theory (TDDFT) is a theory that describes the time evolution of quantum mechanical many-electron systems under the influence of external time-dependent electric and magnetic fields. INQ is a specially…
Stochastic density functional theory (sDFT) is becoming a valuable tool for studying ground state properties of extended materials. The computational complexity of describing the Kohn-Sham orbitals is replaced by introducing a set of random…
We present a formulation of spin-conserving and spin-flip, hybrid time-dependent density functional theory (TDDFT), including the calculation of analytical forces, which allows for efficient calculations of excited state properties of…
We present full quantum mechanical conductance calculations of a quantum point contact (QPC) performed in the framework of the density functional theory (DFT) in the local spin-density approximation (LDA). We show that a spin-degeneracy of…
We investigate the persistent currents and magnetization of a mesoscopic system consisting of two clean metallic rings sharing a single contact point in a magnetic field. Many novel features with respect to the single-ring geometry are…
In electronic many-particle systems, the mapping between densities and spin magnetizations, {n(r), m(r)}, and potentials and magnetic fields, {v(r), B(r)}, is known to be nonunique, which has fundamental and practical implications for…
We present dynamic density functional theory (DDFT) incorporating general inhomogeneous, incompressible, time dependent background flows and inertia, describing externally driven passive colloidal systems out of equilibrium. We start by…
Using spin-density-functional theory, we study the electronic states of a two-dimensional parabolic quantum dot with up to N=58 electrons. We observe a shell structure for the filling of the dot with electrons. Hund's rule determines the…
The self consistent version of the density functional theory (DFT) is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems such as atoms, molecules and clusters. The exact functional…
Density-potential functional theory (DPFT) is an alternative formulation of orbital-free density functional theory that may be suitable for modeling the electronic structure of large systems. To date, DPFT has been applied mainly to quantum…
Density functional theory (DFT) is a powerful theoretical tool widely used in such diverse fields as computational condensed matter physics, atomic physics, and quantum chemistry. DFT establishes that a system of $N$ interacting electrons…
We analyse the periodicity of persistent currents in quantum spin Hall loops, partly covered with an $s$-wave superconductor, in the presence of a flux tube. Much like in normal (non-helical) metals, the periodicity of the single-particle…
We investigate persistent charge and spin currents in a magnetic quantum ring threaded by an Aharonov-Bohm flux, in the presence of a side-coupled one-dimensional non-magnetic chain. The neighboring magnetic moments in the ring are arranged…
The electronic transport in a system of two quantum rings side-coupled to a quantum wire is studied via a single-band tunneling tight-binding Hamiltonian. We derived analytical expressions for the conductance, density of states and the…
A recently developed approach, conditional probability density functional theory (CP-DFT), yields direct access to the exchange-correlation hole of a system, an important correlation function that is not available from any standard DFT…
We have considered an open system consisting of a metallic ring coupled to two electron reservoirs. We have recently shown that in the presence of a transport current, circulating currents can flow in such a ring even in the absence of…
We study how impurities influence the current-induced dynamics of magnetic Skyrmions moving in a racetrack geometry. For this, we solve numerically the generalized Landau-Lifshitz-Gilbert equation extended by the current-induced spin…
We show that the current-density functional theory for superconductors (sc-CDFT) can describe the magnetic-field-induced first-order phase transition of aluminum from a superconducting state to a normal state. This is accomplished by…
We present a dynamic density functional theory (dDFT) which takes into accou nt the advection of the particles by a flowing solvent. For potential flows we can use the same closure as in the absence of solvent flow. The structure of the…
Spin-currents and non-abelian gauge potentials in electronic systems can be treated by spin-current-density functional theory, whose main input is the exchange-correlation (xc) energy expressed as a functional of spin-currents. Constructing…