Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond

We derive the exchange-correlation potential corresponding to the nonlocal van der Waals density functional [M. Dion, H. Rydberg, E. Schroder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004)]. We use this potential for a self-consistent calculation of the ground state properties of a number of van der Waals complexes as well as crystalline silicon. For the latter, where little or no van der Waals interaction is expected, we find that the results are mostly determined by semilocal exchange and correlation as in standard generalized gradient approximations (GGA), with the fully nonlocal term giving little effect. On the other hand, our results for the van der Waals complexes show that the self-consistency has little effect at equilibrium separations. This finding validates previous calculations with the same functional that treated the fully nonlocal term as a post GGA perturbation. A comparison of our results with wave-function calculations demonstrates the usefulness of our approach. The exchange-correlation potential also allows us to calculate Hellmann-Feynman forces, hence providing the means for efficient geometry relaxations as well as unleashing the potential use of other standard techniques that depend on the self-consistent charge distribution. The nature of the van der Waals bond is discussed in terms of the self-consistent bonding charge.Comment: submitted to Phys. Rev.

Dispersion Interactions between Optically Anisotropic Cylinders at all Separations: Retardation Effects for Insulating and Semiconducting Single Wall Carbon Nanotubes

We derive the complete form of the van der Waals dispersion interaction between two infinitely long anisotropic semiconducting/insulating thin cylinders at all separations. The derivation is based on the general theory of dispersion interactions between anisotropic media as formulated in [J. N. Munday, D. Iannuzzi, Yu. S. Barash and F. Capasso, {\sl Phys. Rev. A} {\bf 71}, 042102 (2005)]. This formulation is then used to calculate the dispersion interactions between a pair of single walled carbon nanotubes at all separations and all angles. Non-retarded and retarded forms of the interactions are developed separately. The possibility of repulsive dispersion interactions and non-monotonic dispersion interactions is discussed within the framework of the new formulation

Quasiparticle Interface States in Junctions Involving d-Wave Superconductors

Influence of surface pair breaking, barrier transmission and phase difference on quasiparticle bound states in junctions with d-wave superconductors is examined. Based on the quasiclassical theory of superconductivity, an approach is developed to handle interface bound states. It is shown in SIS' junctions that low energy bound states get their energies reduced by surface pair breaking, which can be taken into account by introducing an effective order parameter for each superconductor at the junction barrier. More interestingly, for the interface bound states near the continuous spectrum the effect of surface pair breaking may result in a splitting of the bound states. In the tunneling limit this can lead to a square root dependence of a nonequilibrium Josephson current on the barrier transmision, which means an enhancement as compared to the conventional critical current linear in the transmission. Reduced broadening of bound states in NIS junctions due to surface pair breaking is found.Comment: 27 pages, Latex fil

Universality versus material dependence of fluctuation forces between metallic wires

We calculate the Casimir interaction between two parallel wires and between a wire and a metall plate. The dielectric properties of the objects are described by the plasma, Drude and perfect metal models. We find that at asymptotically large separation interactions involving plasma wires and/or plates are independent of the material properties, but depend on the dc conductivity $\sigma$ for Drude wires. Counterintuitively, at intermediate separations the interaction involving Drude wires can become independent of $\sigma$. At smaller separations, we compute the interaction numerically and observe an approach to the proximity approximation

Applying dissipative dynamical systems to pseudorandom number generation: Equidistribution property and statistical independence of bits at distances up to logarithm of mesh size

The behavior of a family of dissipative dynamical systems representing transformations of two-dimensional torus is studied on a discrete lattice and compared with that of conservative hyperbolic automorphisms of the torus. Applying dissipative dynamical systems to generation of pseudorandom numbers is shown to be advantageous and equidistribution of probabilities for the sequences of bits can be achieved. A new algorithm for generating uniform pseudorandom numbers is proposed. The theory of the generator, which includes proofs of periodic properties and of statistical independence of bits at distances up to logarithm of mesh size, is presented. Extensive statistical testing using available test packages demonstrates excellent results, while the speed of the generator is comparable to other modern generators.Comment: 6 pages, 3 figures, 3 table

Van der Waals torque induced by external magnetic fields

We present a method for inducing and controlling van der Waals torques between two parallel slabs using a constant magnetic field. The torque is calculated using the Barash theory of dispersive torques. In III-IV semiconductors such as $InSb$, the effect of an external magnetic field is to induce an optical anisotropy, in an otherwise isotropic material, that will in turn induce a torque. The calculations of the torque are done in the Voigt configuration, with the magnetic field parallel to the surface of the slabs. As a case study we consider a slab made of calcite and a second slab made of $InSb$. In the absence of magnetic field there is no torque. As the magnetic field increases, the optical anisotropy of $InSb$ increases and the torque becomes different from zero, increasing with the magnetic field. The resulting torque is of the same order of magnitude as that calculated using permanent anisotropic materials when the magnetic fields is close to 1 T.Comment: to appear in Journal of Applied Physic

A General Approach to Casimir Force Problems Based on Local Reflection Amplitudes and Huygen's Principle

In this paper we describe an approach to Casimir Force problems that is ultimately generalizable to all fields, boundary conditions, and cavity geometries. This approach utilizes locally defined reflection amplitudes to express the energy per unit area of any Casimir interaction. To demonstrate this approach we solve a number of Casimir Force problems including the case of uniaxial boundary conditions in a parallel-plate cavity.Comment: 9 pages, 5 figures, Equation 18 has been corrected, [v1] contained a typ

Collective charge fluctuations and Casimir interactions for quasi one-dimensional metals

We investigate the Casimir interaction between two parallel metallic cylinders and between a metallic cylinder and plate. The material properties of the metallic objects are implemented by the plasma, Drude and perfect metal model dielectric functions. We calculate the Casimir interaction numerically at all separation distances and analytically at large separations. The large-distance asymptotic interaction between one plasma cylinder parallel to another plasma cylinder or plate does not depend on the material properties, but for a Drude cylinder it depends on the dc conductivity $\sigma$. At intermediate separations, for plasma cylinders the asymptotic interaction depends on the plasma wave length $\lambda_{\rm p}$ while for Drude cylinders the Casimir interaction can become independent of the material properties. We confirm the analytical results by the numerics and show that at short separations, the numerical results approach the proximity force approximation

Immunological Characterization and Neutralizing Ability of Monoclonal Antibodies Directed Against Botulinum Neurotoxin Type H.

BackgroundOnly Clostridium botulinum strain IBCA10-7060 produces the recently described novel botulinum neurotoxin type H (BoNT/H). BoNT/H (N-terminal two-thirds most homologous to BoNT/F and C-terminal one-third most homologous to BoNT/A) requires antitoxin to toxin ratios ≥1190:1 for neutralization by existing antitoxins. Hence, more potent and safer antitoxins against BoNT/H are needed.MethodsWe therefore evaluated our existing monoclonal antibodies (mAbs) to BoNT/A and BoNT/F for BoNT/H binding, created yeast-displayed mutants to select for higher-affinity-binding mAbs by using flow cytometry, and evaluated the mAbs' ability to neutralize BoNT/H in the standard mouse bioassay.ResultsAnti-BoNT/A HCC-binding mAbs RAZ1 and CR2 bound BoNT/H with high affinity. However, only 1 of 6 BoNT/F mAbs (4E17.2A) bound BoNT/H but with an affinity >800-fold lower (equilibrium dissociation binding constant [KD] = 7.56 × 10(-8)M) than its BoNT/F affinity (KD= 9.1 × 10(-11)M), indicating that the N-terminal two-thirds of BoNT/H is immunologically unique. The affinity of 4E17.2A for BoNT/H was increased >500-fold to KD= 1.48 × 10(-10)M (mAb 4E17.2D). A combination of mAbs RAZ1, CR2, and 4E17.2D completely protected mice challenged with 280 mouse median lethal doses of BoNT/H at a mAb dose as low as 5 µg of total antibody.ConclusionsThis 3-mAb combination potently neutralized BoNT/H and represents a potential human antitoxin that could be developed for the prevention and treatment of type H botulism

Stationary Josephson effect in a weak-link between nonunitary triplet superconductors

A stationary Josephson effect in a weak-link between misorientated nonunitary triplet superconductors is investigated theoretically. The non-self-consistent quasiclassical Eilenberger equation for this system has been solved analytically. As an application of this analytical calculation, the current-phase diagrams are plotted for the junction between two nonunitary bipolar $f-$wave superconducting banks. A spontaneous current parallel to the interface between superconductors has been observed. Also, the effect of misorientation between crystals on the Josephson and spontaneous currents is studied. Such experimental investigations of the current-phase diagrams can be used to test the pairing symmetry in the above-mentioned superconductors.Comment: 6 pages and 6 figure