Photoemission Spectra from Reduced Density Matrices: the Band Gap in Strongly Correlated Systems

We present a method for the calculation of photoemission spectra in terms of reduced density matrices. We start from the spectral representation of the one-body Green's function G, whose imaginary part is related to photoemission spectra, and we introduce a frequency-dependent effective energy that accounts for all the poles of G. Simple approximations to this effective energy give accurate spectra in model systems in the weak as well as strong correlation regime. In real systems reduced density matrices can be obtained from reduced density-matrix functional theory. Here we use this approach to calculate the photoemission spectrum of bulk NiO: our method yields a qualitatively correct picture both in the antiferromagnetic and paramagnetic phases, contrary to mean-field methods, in which the paramagnet is a metal

Reduced Density-Matrix Functional Theory: correlation and spectroscopy

In this work we explore the performance of approximations to electron correlation in reduced density-matrix functional theory (RDMFT) and of approximations to the observables calculated within this theory. Our analysis focuses on the calculation of total energies, occupation numbers, removal/addition energies, and spectral functions. We use the exactly solvable Hubbard molecule at 1/4 and 1/2 filling as test systems. This allows us to analyze the underlying physics and to elucidate the origin of the observed trends. For comparison we also report the results of the $GW$ approximation, where the self-energy functional is approximated, but no further hypothesis are made concerning the approximations of the observables. In particular we focus on the atomic limit, where the two sites of the molecule are pulled apart and electrons localize on either site with equal probability, unless a small perturbation is present: this is the regime of strong electron correlation. In this limit, using the Hubbard molecule at 1/2 filling with or without a spin-symmetry-broken ground state, allows us to explore how degeneracies and spin-symmetry breaking are treated in RDMFT. We find that, within the used approximations, neither in RDMFT nor in $GW$ the signature of strong correlation are present in the spin-singlet ground state, whereas both give the exact result for the spin-symmetry broken case. Moreover we show how the spectroscopic properties change from one spin structure to the other. Our findings can be generalized to other situations, which allows us to make connections to real materials and experiment

Structure of Turbulence in Katabatic Flows below and above the Wind-Speed Maximum

Measurements of small-scale turbulence made over the complex-terrain atmospheric boundary layer during the MATERHORN Program are used to describe the structure of turbulence in katabatic flows. Turbulent and mean meteorological data were continuously measured at multiple levels at four towers deployed along the East lower slope (2-4 deg) of Granite Mountain. The multi-level observations made during a 30-day long MATERHORN-Fall field campaign in September-October 2012 allowed studying of temporal and spatial structure of katabatic flows in detail, and herein we report turbulence and their variations in katabatic winds. Observed vertical profiles show steep gradients near the surface, but in the layer above the slope jet the vertical variability is smaller. It is found that the vertical (normal to the slope) momentum flux and horizontal (along the slope) heat flux in a slope-following coordinate system change their sign below and above the wind maximum of a katabatic flow. The vertical momentum flux is directed downward (upward) whereas the horizontal heat flux is downslope (upslope) below (above) the wind maximum. Our study therefore suggests that the position of the jet-speed maximum can be obtained by linear interpolation between positive and negative values of the momentum flux (or the horizontal heat flux) to derive the height where flux becomes zero. It is shown that the standard deviations of all wind speed components (therefore the turbulent kinetic energy) and the dissipation rate of turbulent kinetic energy have a local minimum, whereas the standard deviation of air temperature has an absolute maximum at the height of wind-speed maximum. We report several cases where the vertical and horizontal heat fluxes are compensated. Turbulence above the wind-speed maximum is decoupled from the surface, and follows the classical local z-less predictions for stably stratified boundary layer.Comment: Manuscript submitted to Boundary-Layer Meteorology (05 December 2014

Reliability of third-order moment parameterization for models of turbulent boundary layer over gentle topography

An analysis is made of the transport equation of Reynolds shear stress, written in a streamline coordinate system, starting from the fields of first- and secondorder moments of wind velocity, measured in a terrain-following system over gentle topography, in order to verify the usual parameterizations of third-order moments. The equation is split into two parts: the first contains the terms which can be calculated directly from measurements, the second involves the pressure-velocity correlation considering the terms of rapid distortion, curvature and return to isotropy and the transport of triple velocity-correlation modelled assuming a flux-gradient approximation. Moreover, the error estimates associated with both parts have been computed using a Monte Carlo technique which takes into account the experimental errors. This analysis is performed on wind tunnel data over a gently shaped two-dimensional valley and hill. The comparison between the measured and modelled parts is good near the surface, whereas, at higher levels, where the pertubations induced by the topography are significant, there are large zones generally characterized by streamlines with concave curvature in which the flux-gradient approximation used to compute the triple product correlation cannot be applied

Ultrasound in the diagnosis of calcium pyrophosphate dihydrate deposition disease. A systematic literature review and a meta-analysis

..

How does water current velocity affect invertebrate community and leaf-litter breakdown in a physicochemically stable freshwater ecosystem? An experimental study in two nearby reaches (erosional vs. depositional) of the Vera Spring (Central Italy)

The decomposition of allochthonous dead organic matter is a key process for the metabolism and functioning of stream and spring ecosystems. The litter breakdown process is influenced by several abiotic and biotic factors. Among abiotic parameters, the role of current velocity and physical abrasion was poorly investigated. Field studies gave contrasting results, mainly because of the covariation and the interaction of current velocity with other biotic/abiotic variables. For these reasons, we assessed leaf-litter breakdown and the structure of crenic assemblages in two nearby reaches (erosional vs. depositional) of a physicochemically stable rheocrene spring. The two zones investigated were characterized by similar environmental conditions, but water current velocity was about four times greater in the erosional reach. We found substantial differences in the structure and functional organization of crenic assemblages. Overall taxa richness and density were higher in the depositional reach, while diversity and abundance of Ephemeroptera, Plecoptera and Trichoptera were taller in the erosional zone. Shredders were more abundant in the erosional zone, and scrapers were more represented in the slow current sector of the spring. We also demonstrated that water flow may promote a faster decomposition of leaf detritus in the spring erosional reach mainly through indirect effects: higher richness and abundance of shredder detritivores. Our results indicate that water current velocity may have a key role in affecting both spring assemblage composition and ecosystem processes

The incremental role of trait emotional intelligence on perceived cervical screening barriers

Researchers have become increasingly interested in investigating the role of the psychological aspects related to the perception of cervical screening barriers. This study investigates the influence of trait EI on perceived cervical screening barriers. Furthermore, this study investigates the incremental validity of trait EI beyond the Big Five, as well as emotion regulation in the perceived barrier towards the Pap test as revealed in a sample of 206 Italian women that were undergoing cervical screening. Results have shown that trait EI is negatively related to cervical screening barriers. Furthermore, trait EI can be considered as a strong incremental predictor of a woman's perception of screening over and above the Big Five, emotion regulation, age, sexual intercourse experience and past Pap test. Detailed information on the study findings and future research directions are discussed