43,604 research outputs found
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
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