Search results for "init"
showing 10 items of 6629 documents
The electron affinity of astatine
2020
One of the most important properties influencing the chemical behavior of an element is the electron affinity (EA). Among the remaining elements with unknown EA is astatine, where one of its isotopes, 211At, is remarkably well suited for targeted radionuclide therapy of cancer. With the At− anion being involved in many aspects of current astatine labeling protocols, the knowledge of the electron affinity of this element is of prime importance. Here we report the measured value of the EA of astatine to be 2.41578(7) eV. This result is compared to state-of-the-art relativistic quantum mechanical calculations that incorporate both the Breit and the quantum electrodynamics (QED) corrections and…
First-principles nonequilibrium Green's-function approach to transient photoabsorption: Application to atoms
2015
We put forward a first-principle NonEquilibrium Green's Function (NEGF) approach to calculate the transient photoabsorption spectrum of optically thin samples. The method can deal with pump fields of arbitrary strength, frequency and duration as well as for overlapping and nonoverlapping pump and probe pulses. The electron-electron repulsion is accounted for by the correlation self-energy, and the resulting numerical scheme deals with matrices that scale quadratically with the system size. Two recent experiments, the first on helium and the second on krypton, are addressed. For the first experiment we explain the bending of the Autler-Townes absorption peaks with increasing the pump-probe d…
Ab initio angle- and energy-resolved photoelectron spectroscopy with time-dependent density-functional theory
2012
We present a time-dependent density-functional method able to describe the photoelectron spectrum of atoms and molecules when excited by laser pulses. This computationally feasible scheme is based on a geometrical partitioning that efficiently gives access to photoelectron spectroscopy in time-dependent density-functional calculations. By using a geometrical approach, we provide a simple description of momentum-resolved photoemission including multiphoton effects. The approach is validated by comparison with results in the literature and exact calculations. Furthermore, we present numerical photoelectron angular distributions for randomly oriented nitrogen molecules in a short near-infrared…
Argon broadening of the 13CO R(0) and R(7) transitions in the fundamental band at temperatures between 80 and 297K: comparison between experiment and…
2003
We present measurements of Ar-broadening parameters for the R(0) and R(7) lines in the fundamental band of13CO at eight temperatures from 80 to 297 K. The broadening parameters are determined by simultaneous least-squares fitting of spectra recorded using a frequency stabilized diode laser spectrometer. The comparison of the broadening parameter values for R(7) derived at room temperature and different pressures from different line profiles shows that an empirical line profile, which takes into account narrowing effects (Dicke narrowing and absorber speed dependence) but neglects any correlation between collisions, is able to describe the observed lines with constant values of the narrowing…
Ab initio simulations on Frenkel pairs of radiation defects in corundum
2015
Large scale first principles periodic calculations based on the density functional theory within the localized atomic orbital approach (DFT-LCAO) using the hybrid exchange- correlation potential B3PW have been performed in order to study the structural and electronic properties of radiation-induced Frenkel pairs Oi+VO in corundum crystal. As an initial approach, we have used conventional 2x2x1 supercell for defective α-Al2O3 lattice containing 120 atoms. After relaxation of the ideal supercell structure, the optimized doi-vo distance has been found to be ~4.5 A while the formation energy of Frenkel pair has achieved 11.7 eV. The interstitial Oi atom, both single and a component of Oi+VO pai…
Ab initio study of the C60+Na system
2004
Abstract In this work we present the first CAS-CI calculation of the potential-electronic curves for the lowest states of the C 60 +Na system using a set of local orbitals. These orbitals permit to select a small active space describing the ionic interaction between the C 60 and the Na atom. A binding energy of about 3 eV has been found, a value substantially larger than previous theoretical results.
Emergency medical triage decisions are swayed by computer-manipulated cues of physical dominance in caller’s voice
2016
AbstractIn humans as well as other animals, displays of body strength such as power postures or deep masculine voices are associated with prevalence in conflicts of interest and facilitated access to resources. We conduct here an ecological and highly critical test of this hypothesis in a domain that, on first thought, would appear to be shielded from such influences: access to emergency medical care. Using acoustic manipulations of vocal masculinity, we systematically varied the perceived level of physical dominance of mock patients calling a medical call center simulator. Callers whose voice were perceived as indicative of physical dominance (i.e. those with low fundamental and formant fr…
Fundamental frequency of the female's voice: A cross-country empirical study on its influence on social and sexual selection
2020
Recent studies demonstrate that voice (in particular, its fundamental frequency -Fo-) may influence on social and sexual selection. Here, we tested how the Fo of female's voice is related to different aspects of social and sexual selection through a novel experimental approach. First, we recorded and measured the Fo of 22 women reading a neutral text in Spanish language. Six of these voices were selected and classified into three categories: voices with a low Fo (225 Hz). Then, these voices were rated by two independent samples including both men and women: one comprised of native Spanish-speakers (n = 683) and the other comprised of native Italian non-Spanish-speakers (n = 484). Contrarily…
Feminīnais un maskulīnais romānā "Vējiem līdzi", auditorijas vērtējums
2016
Bakalaura darbs “Feminīnais un maskulīnais romānā “Vējiem līdzi”, auditorijas vērtējums” ir pētījums par to, kā lasītāji vērtē feminīnās un maskulīnās iezīmes Margaretas Mičelas romānā “Vējiem līdzi”. Darbs sastāv no trim daļām – teorētiskā, metodoloģiskā un pētījuma daļa. Teorētiskajā daļā tiek skatīts feminisms un tā vēsture, feministiskā teorija, feminitāte un maskulinitāte, vispārīgi par romānu “Vējiem līdzi”, kā arī ar to saistīto kritiku. Metodoloģijas daļa apskata padziļināto interviju un fokusgrupu interviju pielietojum. Pētījuma daļas pamatā ir četras dažādas intervijas. Pētījuma rezultāti liecina par auditorijas romāna vērtējumu, sieviešu un vīriešu sociālajām lomām un to izmaiņām…
Effect of Plastic hot deformation on the hardness and continuous cooling transformations of 22MnB5 micro-alloyed boron steel
2009
The strains, transformation temperatures, microstructure, and microhardness of a microalloyed boron and aluminum precoated steel, which has been isothermally deformed under uniaxial tensile tests, have been investigated at temperatures between 873 and 1223 K, using a fixed strain rate value of 0.08 s−1. The effect of each factor, such as temperature and strain value, has been later valued considering the shift generated on the continuous cooling transformation (CCT) diagram. The experimental results consist of the starting temperatures that occur for each transformation, the microhardness values, and the obtained microstructure at the end of each thermomechanical treatment. All the thermome…