Related papers: Kohn-Sham equations for nanowires with direct curr…
Popular density functionals for the exchange-correlation energy typically fail to reproduce the degeneracy of different ground states of open-shell atoms. As a remedy, functionals which explicitly depend on the current density have been…
We present a self-consistent method for the evaluation of the electronic current flowing through a multi-terminal molecular wire. The method is based on Buttiker- Landauer theory which relates the current to one-electron scattering…
The theory of electromagnetic in nature new component of electrical current is suggested. In classical physics approximations for the cases of the free electron plasmas in semi-conductive media, the atom or molecular electrons of liquids…
Kinetic Vlasov equation for collisional Maxwellian plasmas is used. Collision integral of BGK (Bhatnagar, Gross and Krook) type is applied. From Vlasov equation we find distribution function of electrons in square-law approximation on size…
We show, in the case of a special dipolar source, that electromagnetic fields in fractional quantum mechanics have an unexpected space dependence: propagating fields may have non-transverse components, and the distinction between near-field…
The method of flow equations is applied to QED on the light front. Requiring that the particle number conserving terms in the Hamiltonian are considered to be diagonal and the other terms off-diagonal an effective Hamiltonian is obtained…
Time-resolved electron transport in nano-devices is described by means of a time-nonlocal quantum master equation for the reduced density operator. Our formulation allows for arbitrary time dependences of any device or contact parameter.…
The quantum theory of conductivity of semiconductor objects, to which the quantum wells, wires and dots concern, is constructed. Average values of current and charge densities, induced by a weak electromagnetic field, are calculated. It is…
We provide a glimpse of recent progress in hadron physics made using QCD's Dyson-Schwinger equations, reviewing: the notion of in-hadron condensates and a putative solution of a gross problem with the cosmological constant; the dynamical…
Within the framework of linear-scaling Kohn-Sham density functional theory, a robust method for maintaining compact localized orbitals close to the ground state is coupled with nuclear dynamics. This allows to obviate the commonly employed…
The effect of nonconservative current-induced forces on the ions in a defect-free metallic nanowire is investigated using both steady-state calculations and dynamical simulations. Non-conservative forces were found to have a major influence…
An approach which allows to include the corrections from non-orthogonality of electron states in contacts and quantum dots is developed. Comparison of the energy levels and charge distributions of electrons in 1D quantum dot (QD) in…
In this work we introduce a new semi-implicit second order correction scheme to the kinetic Kohn-Sham lattice model. The new approach is validated by performing realistic exchange-correlation energy calculations of atoms and dimers of the…
We study the effect of electron-electron backscattering interactions on spin transport in a quantum wire. Even if these interactions have no significant effect on charge transport, they strongly influence the transport of spin. We use the…
In approximate Kohn-Sham density-functional theory, self-interaction manifests itself as the dependence of the energy of an orbital on its fractional occupation. This unphysical behavior translates into qualitative and quantitative errors…
We have studied the weakly non-linear quantum transport properties of a two-dimensional quantum wire which can be solved exactly. The non-linear transport coefficients have been calculated and interesting physical properties revealed. In…
Electron gas in a wire connected to two terminals with potential drop is studied with the Schwinger-Keldysh formalism. Recent studies, where the current is enforced to flow with a Lagrange-multiplier term, demonstrated that the current…
We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to construct an approximation for the exchange-correlation term of the Kohn-Sham approach. The resulting exchange-correlation potential is able to…
We formulate a set of equations that facilitate an exact numerical solution of the Kohn-Sham potential for a finite Hubbard chain with nearest neighbour hopping and arbitrary site potentials. The approach relies on a mapping of the…
A unified theory for the current through a nanoscale region of interacting electrons connected to two leads which can be either ferromagnet or superconductor is presented, yielding Meir-Wingreen-type formulas when applied to specific…