Self-interaction in Green's-function theory of the hydrogen atom

Atomic hydrogen provides a unique test case for computational electronic structure methods, since its electronic excitation energies are known analytically. With only one electron, hydrogen contains no electronic correlation and is therefore particularly susceptible to spurious self-interaction errors introduced by certain computational methods. In this paper we focus on many-body perturbation-theory (MBPT) in Hedin's GW approximation. While the Hartree-Fock and the exact MBPT self-energy are free of self-interaction, the correlation part of the GW self-energy does not have this property. Here we use atomic hydrogen as a benchmark system for GW and show that the self-interaction part of the GW self-energy, while non-zero, is small. The effect of calculating the GW self-energy from exact wavefunctions and eigenvalues, as distinct from those from the local-density approximation, is also illuminating

Flow properties of suspensions rich in solids

Mathematical evaluation of flow properties of fluids carrying high concentrations of solids in suspension relates suspension viscosity to physical properties of the solids and liquids, and provides a means for predicting flow behavior. A technique for calculating a suspensions flow rates is applicable to the design of pipelines

Crumpling transition of the triangular lattice without open edges: effect of a modified folding rule

Folding of the triangular lattice in a discrete three-dimensional space is investigated by means of the transfer-matrix method. This model was introduced by Bowick and co-workers as a discretized version of the polymerized membrane in thermal equilibrium. The folding rule (constraint) is incompatible with the periodic-boundary condition, and the simulation has been made under the open-boundary condition. In this paper, we propose a modified constraint, which is compatible with the periodic-boundary condition; technically, the restoration of translational invariance leads to a substantial reduction of the transfer-matrix size. Treating the cluster sizes L \le 7, we analyze the singularities of the crumpling transitions for a wide range of the bending rigidity K. We observe a series of the crumpling transitions at K=0.206(2), -0.32(1), and -0.76(10). At each transition point, we estimate the latent heat as Q=0.356(30), 0.08(3), and 0.05(5), respectively

A Physical Theory of the Competition that Allows HIV to Escape from the Immune System

Competition within the immune system may degrade immune control of viral infections. We formalize the evolution that occurs in both HIV-1 and the immune system quasispecies. Inclusion of competition in the immune system leads to a novel balance between the immune response and HIV-1, in which the eventual outcome is HIV-1 escape rather than control. The analytical model reproduces the three stages of HIV-1 infection. We propose a vaccine regimen that may be able to reduce competition between T cells, potentially eliminating the third stage of HIV-1.Comment: 5 pages, 2 figures, to appear in Phys. Rev. Let

Development of Heterogeneous Photosensitized Transition Metal Oxide Water-Splitting Catalysts on Silica Support

The research presented in this manuscript describes the development of photosensitized inexpensive catalysts based on readily available materials. The investigation covers synthesis and characterization of photosensitizers based on porphyrins, mechanical and thermal coating of solid support with semiconducting transition metal oxides, photosensitization of the semiconducting layer, and characterization of the photoelectrochemical properties displayed by the new materials. The process of water oxidation is of primary interest here, with little emphasis put on reduction of protons to gaseous hydrogen. Photoelectrochemically produced protons serve as a probe of effectiveness of the catalysts. Several systems are described, and two catalysts are identified as the most efficient

Measure Factors, Tension, and Correlations of Fluid Membranes

We study two geometrical factors needed for the correct construction of statistical ensembles of surfaces. Such ensembles appear in the study of fluid bilayer membranes, though our results are more generally applicable. The naive functional measure over height fluctuations must be corrected by these factors in order to give correct, self-consistent formulas for the free energy and correlation functions of the height. While one of these corrections -- the Faddeev-Popov determinant -- has been studied extensively, our derivation proceeds from very simple geometrical ideas, which we hope removes some of its mystery. The other factor is similar to the Liouville correction in string theory. Since our formulas differ from those of previous authors, we include some explicit calculations of the effective frame tension and two-point function to show that our version indeed secures coordinate-invariance and consistency to lowest nontrivial order in a temperature expansion.Comment: 24 pp; plain Te

Folding of the triangular lattice in a discrete three-dimensional space: Crumpling transitions in the negative-bending-rigidity regime

Folding of the triangular lattice in a discrete three-dimensional space is studied numerically. Such ``discrete folding'' was introduced by Bowick and co-workers as a simplified version of the polymerized membrane in thermal equilibrium. According to their cluster-variation method (CVM) analysis, there appear various types of phases as the bending rigidity K changes in the range -infty < K < infty. In this paper, we investigate the K<0 regime, for which the CVM analysis with the single-hexagon-cluster approximation predicts two types of (crumpling) transitions of both continuous and discontinuous characters. We diagonalized the transfer matrix for the strip widths up to L=26 with the aid of the density-matrix renormalization group. Thereby, we found that discontinuous transitions occur successively at K=-0.76(1) and -0.32(1). Actually, these transitions are accompanied with distinct hysteresis effects. On the contrary, the latent-heat releases are suppressed considerably as Q=0.03(2) and 0.04(2) for respective transitions. These results indicate that the singularity of crumpling transition can turn into a weak-first-order type by appreciating the fluctuations beyond a meanfield level

Enhanced backscatter of optical beams reflected in turbulent air

Optical beams propagating through air acquire phase distortions from turbulent fluctuations in the refractive index. While these distortions are usually deleterious to propagation, beams reflected in a turbulent medium can undergo a local recovery of spatial coherence and intensity enhancement referred to as enhanced backscatter (EBS). Using a combination of lab-scale experiments and simulations, we investigate the EBS of optical beams reflected from corner cubes and rough surfaces, and identify the regimes in which EBS is most distinctly observed.Comment: 10 pages, 8 figure