Abstract:
We discuss the electronic transport through molecules in the Kondo regime. We concentrate here on the influence of molecular vibrations. Two types of vibrations are investigated: (i) the breathing internal molecular modes, where the coupling occurs between the molecular deformation and the charge density, and (ii) the oscillations of molecule between the contacts, where the displacement affects the tunneling. The system is described by models which are solved numerically using Schoenhammer-Gunnarsson's projection operators and Wilson's numerical renormalization group methods. Case (i) is considered within the Anderson-Holstein model. Here the influence of the phonons is mainly to suppress the repulsion between the electrons at the molecular orbital. Case (ii) is described by a two-channel Anderson model with phonon-assisted hybridization. In both cases, the coupling to electrons softens the vibrational mode and in the strong coupling regime makes the displacement unstable to perturbations that break the symmetry of the confining potential. For instance, in case (ii) when the frequency of oscillations decreases below the magnitude of perturbation breaking the left-right symmetry, the molecule will be abruptly attracted to one of the electrodes. In this regime, the Kondo temperature increases but the conductance through the molecule is suppressed.

Abstract:
We investigate entanglement between electrons in serially coupled double quantum dots attached to non interacting leads. In addition to local repulsion we consider the influence of capacitive inter-dot interaction. We show how the competition between extended Kondo and local singlet phases determines the ground state and thereby the entanglement.

Abstract:
We investigate the electronic transport through a molecule in the Kondo regime. The tunneling between the electrode and the molecule is asymmetrically modulated by the oscillations of the molecule, i.e., if the molecule gets closer to one of the electrodes the tunneling to that electrode will increase while for the other electrode it will decrease. The system is described by a two-channel Anderson model with phonon-assisted hybridization, which is solved with the Wilson numerical renormalization group method. The results for several functional forms of tunneling modulation are presented. For a linearized modulation the Kondo screening of the molecular spin is caused by the even or odd conduction channel. At the critical value of the electron-phonon coupling an unstable two-channel Kondo fixed point is found. For a realistic modulation the spin at the molecular orbital is Kondo screened by the even conduction channel even in the regime of strong coupling. A universal consequence of the electron-phonon coupling is the softening of the phonon mode and the related instability to perturbations that break the left-right symmetry. When the frequency of oscillations decreases below the magnitude of such perturbation, the molecule is abruptly attracted to one of the electrodes. In this regime, the Kondo temperature is enhanced and, simultaneously, the conductance through the molecule is suppressed.

Abstract:
Spin-entanglement of two electrons occupying two spatial regions -- domains -- is expressed in a compact form in terms of spin-spin correlation functions. The power of the formalism is demonstrated on several examples ranging from generation of entanglement by scattering of two electrons to the entanglement of a pair of qubits represented by a double quantum dot coupled to leads. In the latter case the collapse of entanglement due to the Kondo effect is analyzed.

Abstract:
Zero temperature linear response conductance of molecules with Coulomb interaction and with various types of phonon modes is analysed together with local occupation, local moment, charge fluctuations and fluctuations of molecular deformation. Deformation fluctuations are quantitatively related to charge fluctuations which exhibit similarity also to static charge susceptibility.

Abstract:
We investigate the origin of the high Neel temperature recently found in Tc perovskites. The electronic structure in the magnetic state of SrTcO3 and its 3d analogue SrMnO3 is calculated within a framework combining band-structure and many-body methods. In agreement with experiment, the Neel temperature of SrTcO3 is found to be four times larger than that of SrMnO3. We show that this is because the Tc-compound lies on the verge of the itinerant-to-localized transition, and also has a larger bandwidth, while the Mn-compound lies deeper into the localized side. For SrTcO3 we predict that the Neel temperature depends weakly on applied pressure, in clear violation of Bloch's rule, signaling the complete breakdown of the localized picture.

Abstract:
We calculate the zero temperature conductance and characteristic correlation functions of a molecule with a center of mass (CM) motion which modulates couplings to the leads. In the first model studied, the CM vibrational mode is simultaneously coupled to the electron density on the molecule. The conductance is suppressed in regimes corresponding to non-integer occupancy of the molecule. In the second model, where the CM mode is not directly coupled to the electron density, the suppression of conductance is related to the dynamic breaking of the inversion symmetry.

Abstract:
We investigate the competition between pair entanglement of two spin qubits in double quantum dots attached to leads with various topologies and the separate entanglement of each spin with nearby electrodes. Universal behavior of entanglement is demonstrated in dependence on the mutual interactions between the spin qubits, the coupling to their environment, temperature and magnetic field. As a consequence of quantum phase transition an abrupt switch between fully entangled and unentangled states takes place when the dots are coupled in parallel.

Abstract:
Entanglement of spins is analyzed for two electrons extracted from a mixed many electron state by projecting onto the two-electron subspace. The concurrence formulae are expressed in a compact form for states with a well defined square of the total spin projection. As an example, the thermal entanglement for a qubit pair with an anisotropic Heisenberg and the Dzyaloshinskii-Moriya interactions in an inhomogeneous magnetic field is given analytically. Remarkably, the concurrence of a pair of electrons with antiparallel spins and in a delocalised orbital state is given by the scalar product of the state with its spin-flipped state and not with the time-reversed state.

Abstract:
Density functional plus dynamical mean field calculations are used to show that in transition metal oxides, rotational and tilting (GdFeO$_3$-type) distortions of the ideal cubic perovskite structure produce a multiplicity of low-energy optical transitions which affect the conductivity down to frequencies of the order of $1$ or $2$~mV (terahertz regime), mimicking non-Fermi-liquid effects even in systems with a strictly Fermi-liquid self-energy. For CaRuO$_3$, a material whose measured electromagnetic response in the terahertz frequency regime has been interpreted as evidence for non-Fermi-liquid physics, the combination of these band structure effects and a renormalized Fermi-liquid self-energy accounts for the low frequency optical response which had previously been regarded as a signature of exotic physics. Signatures of deviations from Fermi-liquid behavior at higher frequencies ($\sim 100$~meV) are discussed.