Search results for "approximation"
showing 10 items of 818 documents
New Measurements of the Beam Normal Spin Asymmetries at Large Backward Angles with Hydrogen and Deuterium Targets
2017
International audience; New measurements of the beam normal single spin asymmetry in the electron elastic and quasielastic scattering on the proton and deuteron, respectively, at large backward angles and at ⟨Q2⟩=0.22 (GeV/c)2 and ⟨Q2⟩=0.35 ( GeV/c)2 are reported. The experimentally observed asymmetries are compared with the theoretical calculation of Pasquini and Vanderhaeghen [Phys. Rev. C 70, 045206 (2004).PRVCAN0556-281310.1103/PhysRevC.70.045206]. The agreement of the measurements with the theoretical calculations shows a dominance of the inelastic intermediate excited states of the nucleon, πN and the Δ resonance. The measurements explore a new, important parameter region of the exc…
Many-body Green's function theory of electrons and nuclei beyond the Born-Oppenheimer approximation
2020
The method of many-body Green's functions is developed for arbitrary systems of electrons and nuclei starting from the full (beyond Born-Oppenheimer) Hamiltonian of Coulomb interactions and kinetic energies. The theory presented here resolves the problems arising from the translational and rotational invariance of this Hamiltonian that afflict the existing many-body Green's function theories. We derive a coupled set of exact equations for the electronic and nuclear Green's functions and provide a systematic way to approximately compute the properties of arbitrary many-body systems of electrons and nuclei beyond the Born-Oppenheimer approximation. The case of crystalline solids is discussed …
Zinc-blende AlN and GaN under pressure: structural, electronic, elastic and piezoelectric properties
2004
In this paper we report a theoretical study of the structural, elastic, electronic and piezoelectric properties of zinc-blende AlN and GaN under the pressure effect. The study is focused on the first-principles all electron full-potential augmented plane wave plus local orbitals calculations within the density-functional theory. The results of bulk properties, including lattice constants, bulk modulus and derivatives and band structures are obtained and compared using both the local density approximation (LDA) and the generalized gradient approximation (GGA) for the exchange-correlation functional. We find that the GGA does not give a significant improvement over LDA. We also report calcula…
Large eddy simulation model for wind-driven sea circulation in coastal areas
2013
Abstract. In the present paper a state-of-the-art large eddy simulation model (LES-COAST), suited for the analysis of water circulation and mixing in closed or semi-closed areas, is presented and applied to the study of the hydrodynamic characteristics of the Muggia bay, the industrial harbor of the city of Trieste, Italy. The model solves the non-hydrostatic, unsteady Navier–Stokes equations, under the Boussinesq approximation for temperature and salinity buoyancy effects, using a novel, two-eddy viscosity Smagorinsky model for the closure of the subgrid-scale momentum fluxes. The model employs: a simple and effective technique to take into account wind-stress inhomogeneity related to the …
Orbital Decomposition of the Carbon Chemical Shielding Tensor in Gold(I) N-Heterocyclic Carbene Complexes.
2020
The good performance of N‐heterocyclic carbenes (NHCs), in terms of versatility and selectivity, has called the attention of experimentalists and theoreticians attempting to understand their electronic properties. Analyses of the Au(I)–C bond in [(NHC)AuL]+/0 (L stands for a neutral or negatively charged ligand), through the Dewar–Chatt–Duncanson model and the charge displacement function, have revealed that NHC is not purely a σ‐donor but may have a significant π‐acceptor character. It turns out, however, that only the σ‐donation bonding component strongly correlates with one specific component of the chemical shielding tensor. Here, in extension to earlier works, a current density analysi…
Spectral function for overoccupied gluodynamics from real-time lattice simulations
2018
We study the spectral properties of a highly occupied non-Abelian non-equilibrium plasma appearing ubiquitously in weak coupling descriptions of QCD matter. The spectral function of this far-from-equilibrium plasma is measured by employing linear response theory in classical-statistical real-time lattice Yang-Mills simulations. We establish the existence of transversely and longitudinally polarized quasiparticles and obtain their dispersion relations, effective mass, plasmon frequency, damping rate and further structures in the spectral and statistical functions. Our new method can be interpreted as a non-perturbative generalization of hard thermal loop (HTL) effective theory. We see indica…
Socio-economic deprivation and COVID-19 infection: a Bayesian spatial modelling approach
2022
Il presente articolo ha l’obiettivo di analizzare l’effetto della deprivazione socio-economica sull’incidenza da COVID-19 a livello sub-comunale. Grazie alla disponibilit`a di informazioni sui tassi di incidenza mensili da COVID-19 a livello di sezione di censimento per i due comuni di Palermo e Catania (Italia), viene pro- posto l’utilizzo di un modello spaziale Bayesiano con distribuzione binomiale zero- inflated. I risultati mostrano un’associazione tra livelli di deprivazione e incidenza da COVID-19 nei due comuni, controllando per la struttura spaziale delle unit`a areali considerate. Alla luce dei risultati, si rendono necessarie azioni di politica sanitaria focalizzando gli intervent…
Near-infrared diffuse reflectance spectroscopy and neural networks for measuring nutritional parameters in chocolate samples.
2007
Abstract A rapid and non-destructive method has been developed for the characterization of chocolate samples based on diffuse reflectance near-infrared Fourier transform spectroscopy (DRIFTS) and artificial neural networks (ANNs). This methodology provides a potentially useful alternative to time-consuming chemical methods of analysis. To assess its utility, 36 chocolate samples purchased from the Spanish market were analyzed for the determination of the main nutritional parameters like carbohydrates, fat, proteins, energetic value and cocoa content. Direct triplicate measurements of each sample were carried out by DRIFTS. Cluster hierarchical analysis was used for selecting calibration and…
Diffusion processes with ultrametric jumps
2007
Abstract In the theory of spin glasses the relaxation processes are modelled by random jumps in ultrametric spaces. One may argue that at the border of glassy and nonglassy phases the processes combining diffusion and jumps may be relevant. Using the Dirichlet form technique we construct a model of diffusion on the real line with jumps on the Cantor set. The jumps preserve the ultrametric feature of a random process on unit ball of 2-adic numbers.
Cavitation of electron bubbles in liquid parahydrogen
2011
Within a finite-temperature density functional approach, we have investigated the structure of electron bubbles in liquid parahydrogen below the saturated vapour pressure, determining the critical pressure at which electron bubbles explode as a function of temperature. The electron-parahydrogen interaction has been modelled by a Hartree-type local potential fitted to the experimental value of the conduction band-edge for a delocalized electron in pH(2). We have found that the pressure for bubble explosion is, in absolute value, about a factor of two smaller than that of the homogeneous cavitation pressure in the liquid. Comparison with the results obtained within the capillary model shows t…