Search results for " density"
showing 10 items of 2709 documents
Quantum chemistry of the excited state: 2005 overview
2005
The present contribution contains an overview of quantum-chemical methods and strategies to compute and interpret spectroscopic and photochemical phenomena in molecular systems. The state of the art for the quantum chemistry of the excited state is reviewed, focusing in the advantages and disadvantages of the most commonly employed computational methods, from the single configurational procedures like CI-Singles (CIS), propagator approaches, and Coupled-Cluster (CC) techniques, to the more sophisticated multiconfigurational treatments, with particular emphasis on perturbation theory, the CASPT2 approach. Also, a short summary on the performance, lights, and shadows of the popular TDDFT meth…
Effect of RF Field Inhomogeneity and Sample Restriction on Spectral Resolution of CP/MAS-13C NMR Spectra of Natural Organic Matter
2010
It is well known that the induced B1 magnetic field in an NMR coil is inhomogeneously distributed. However, this issue has so far received little attention in the field of environmental NMR. As this research field often aims at quanti- tative results as well as relaxation phenomena, the repercussions of such inhomogeneity on peak integrals and relaxation times need to be taken into account. The objective of the present study was to test standard recording conditions on different sample positions in an NMR coil in order to determine the effect of the RF field inhomogeneity on the spectrum of a molecularly complex humic material and on some standard molecules of known structure and conformati…
Collective hydrodynamic transport of magnetic microrollers
2021
We investigate the collective transport properties of microscopic magnetic rollers that propel close to a surface due to a circularly polarized, rotating magnetic field. The applied field exerts a torque to the particles, which induces a net rolling motion close to a surface. The collective dynamics of the particles result from the balance between magnetic dipolar interactions and hydrodynamic ones. We show that, when hydrodynamics dominate, i.e. for high particle spinning, the collective mean velocity linearly increases with the particle density. In this regime we analyse the clustering kinetics, and find that hydrodynamic interactions between the anisotropic, elongated particles, induce p…
Coherent Control of Stimulated Emission inside one dimensional Photonic Crystals:Strong Coupling regime
2006
The present paper discusses the stimulated emission, in strong coupling regime, of an atom embedded inside a one dimensional (1D) Photonic Band Gap (PBG) cavity which is pumped by two counter-propagating laser beams. Quantum electrodynamics is applied to model the atom-field interaction, by considering the atom as a two level system, the e.m. field as a superposition of normal modes, the coupling in dipole approximation, and the equations of motion in Wigner-Weisskopf and rotating wave approximations. In addition, the Quasi Normal Mode (QNM) approach for an open cavity is adopted, interpreting the local density of states (LDOS) as the local density of probability to excite one QNM of the ca…
The performance of the ATHENA X-ray Integral Field Unit
2018
The X-ray Integral Field Unit (X-IFU) is a next generation microcalorimeter planned for launch onboard the Athena observatory. Operating a matrix of 3840 superconducting Transition Edge Sensors at 90 mK, it will provide unprecedented spectro-imaging capabilities (2.5 eV resolution, for a field of view of 5') in the soft X-ray band (0.2 up to 12 keV), enabling breakthrough science. The definition of the instrument evolved along the phase A study and we present here an overview of its predicted performances and their modeling, illustrating how the design of the X-IFU meets its top-level scientific requirements. This article notably covers the energy resolution, count-rate capability, quantum …
Supercurrent Induced Charge-Spin Conversion in Spin-Split Superconductors
2017
We study spin-polarized quasiparticle transport in a mesoscopic superconductor with a spin- splitting field in the presence of co-flowing supercurrent. In such a system, the nonequilibrium state is characterized by charge, spin, energy and spin energy modes. Here we show that in the presence of both spin splitting and supercurrent, all these modes are mutually coupled. As a result, the supercurrent can convert charge imbalance, that in the presence of spin splitting decays on a relatively short scale, to a long-range spin accumulation decaying only via inelastic scattering. This effect enables coherent charge-spin conversion controllable by a magnetic flux, and it can be detected by studyin…
Hybrid chaotic firefly decision making model for Parkinson’s disease diagnosis
2020
Parkinson’s disease is found as a progressive neurodegenerative condition which affects motor circuit by the loss of up to 70% of dopaminergic neurons. Thus, diagnosing the early stages of incidence is of great importance. In this article, a novel chaos-based stochastic model is proposed by combining the characteristics of chaotic firefly algorithm with Kernel-based Naïve Bayes (KNB) algorithm for diagnosis of Parkinson’s disease at an early stage. The efficiency of the model is tested on a voice measurement dataset that is collected from “UC Irvine Machine Learning Repository.” The dynamics of chaos optimization algorithm will enhance the firefly algorithm by introducing six types of chao…
Much can change in a year: The massawan mantis shrimp, erugosquilla massavensis (Kossmann, 1880) in sicily, Italy
2019
A flourishing population of the Massawan mantis shrimp, Erugosquilla massavensis, an Erythraean species, is recorded off Sicily, Italy, one year after the very first specimen was collected off the eastern coast of the island. The species is already established as a minor, albeit valuable, fishery resource. Once its population increases, however, it may compete with the native Mediterranean spot-tail mantis shrimp, Squilla mantis. This article presents the results of a joint effort between members of the Museo Civico di Storia Naturale of Comiso and local fishermen to monitor non-indigenous species in Sicilian waters.
Shell structure and the fluctuation of the nuclear density distribution
1984
We investigate the relation between the density-fluctuations in nuclei and their description by single-particle models, i.e. the shell model and the Hartree-Fock method; the question is whether every shell-structure necessarily leads to those fluctuations. We demonstrate the flexibility of the single-particle models by constructing a shell-model potential and an effective Hartree-Fock potential, respectively, which produce completely flat distributions without any density fluctuation; this means that “shell structure” is not sufficient an explanation for the fluctuations. Only the additional requirement that the dynamical features of nuclei are also met selects a subclass of “reasonable” po…
Survival of Floquet–Bloch States in the Presence of Scattering
2021
Floquet theory has spawned many exciting possibilities for electronic structure control with light, with enormous potential for future applications. The experimental demonstration in solids, however, remains largely unrealized. In particular, the influence of scattering on the formation of Floquet-Bloch states remains poorly understood. Here we combine time- and angle-resolved photoemission spectroscopy with time-dependent density functional theory and a two-level model with relaxation to investigate the survival of Floquet-Bloch states in the presence of scattering. We find that Floquet-Bloch states will be destroyed if scattering-activated by electronic excitations-prevents the Bloch elec…