944 resultados para Electron energy levels
Resumo:
A number of Rydberg and autoionization levels of U I have been studied using three-step resonant ionization methods with three pulsed tunable dye lasers. Energy levels of uranium atom have been measured,which were located in the 49 898-50 880 cm(-1) energy interval.
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Three new amphiphilic rare earth complexes with only two organic long chains Ln (MOP)(2)Cl (MOP=monooctadecyl phthalate, Ln=Eu, Tb, Gd) were synthesized and characterized by elemental analysis. The complexes (Eu, Tb) showed good luminescence property with long fluorescence lifetime, whereas the intensity and lifetime of Tb complex are greater than those of Eu complex, By measuring the triplet energy levels of ligand based on energy transfer mechanism, above phenomena have been well explained. The Langmuir films of the complexes on the air/water interface were also studied and the results show that all of them have good film-forming property.
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Eleven new lifetimes of odd parity excited energy levels in four configurations: 4f12 5d 6s 6p, 4f12 6S2 6p, 4f13 5d 6s and 4f13 6s 7s of atomic thulium have been mesured with atomic-beam laser spectrocopy. Two pulsed dye lasers are used for stepwise excitation and the time-resolved fluorescence decay was used to determine lifetime values. The accuracy of the measurements is about 10%.
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The angular overlap model (AOM) is applied to 4f6 electron systems. The crystal field parameters are interpreted and covalency between 4f electrons and ligands is investigated based on the experimental energy levels. For Eu3+:Ln2O2S (Ln = Lu, Y, Gd, La) crystal series, we adopt two computational schemes. First of all, we assume that the distances to all ligands are equal, and then the distances to all ligands are divided into two groups, namely, oxygens as one group, sulfurs as the other. Of course, much information about covalency will be obtained from the latter case. Obviously, our results show that the covalency of Ln-O bonding is stronger than that of Ln-S bonding in line with much shorter bondlength for the former than that for the latter. The two schemes yield the same results, that is, for sigma and pi bonding, ligands are strong donors as well as sigma, pi effects are dominant over delta, phi effects.
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Three triazole derivatives (4-chloro-acetophenone-O-1'-(1',3',4'-triazolyl)-metheneoxime (CATM), 4-methoxyl-acetophenone-O-1'-(1',3',4'-triazolyl)-metheneoxime (MATM) and 4-fluoro-acetophenone-O-1'-(1',3',4'-triazolyl)-metheneoxime (FATM)) have been synthesized as new inhibitors for the corrosion of mild steel in acid media. The inhibition efficiencies of these inhibitors were evaluated by means of weight loss and electrochemical techniques such as electrochemical impedance spectroscopy (EIS) and polarization curves. Then the surface morphology was studied by scanning electron microscopy (SEM). The adsorption of triazole derivatives is found to obey Langmuir adsorption isotherm, and the thermodynamic parameters were determined and discussed. The relationship between molecular structure of these compounds and their inhibition efficiency has been investigated by ab initio quantum chemical calculations. The electronic properties such as the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO) energy levels, energy gap (LUMO-HOMO), dipole moment and molecular orbital densities were computed. (c) 2007 Elsevier Ltd. All rights reserved.
Resumo:
Langstaff, David; Chase, T., (2007) 'A multichannel detector array with 768 pixels developed for electron spectroscopy', Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment 573(1-2) pp.169-171 RAE2008
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Collision strengths for transitions among the energetically lowest 46 fine-structure levels belonging to the (1s(2)) 2s(2)2p(2), 2s2p(3), 2p(4), and 2s(2)2p3l configurations of Ca XV are computed, over a wide electron energy range below 300 Ryd, using the Dirac Atomic R-matrix Code (DARC) of Norrington & Grant (2003). Resonances in the threshold region have been resolved in a fine energy mesh, and excitation rates are determined over a wide electron temperature range below 10(7) K. The results are compared with those available in the literature, and the accuracy of the data is assessed.
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Collision strengths for transitions among the energetically lowest 53 fine-structure levels belonging to the (1s(2)2s(2)2p(6)) 3l(2), 3l3l', 3s4l and 3p4s configurations of Fe XV are computed, over an electron energy range below 160 Ryd, using the Dirac Atomic R-matrix Code (DARC) of Norrington & Grant (2003). Effective collision strengths, obtained after integrating the collision strengths over a Maxwellian distribution of electron energies, have also been calculated. These results of effective collision strengths are tabulated for all 1378 inelastic transitions over a wide temperature range of 10(5) to 10(7) K. Comparisons are also made with other R-matrix calculations and the accuracy of the results is assessed.
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Dissociative electron attachment to cyanoacetylene (propiolonitrile) HCCCN has been observed in the electron energy range 0-12 eV. Negative ions are formed in two main bands with maxima at similar to 1.6 eV (CCCN-) and similar to 5.3 eV (CCCN-, CN-, HCC- and CC-). There are also weaker resonances which lead to dissociative electron attachment to form CN-, HCC- and CC- with a maximum intensity at similar to 8.1 eV and CCCN-, CN- and CC- at similar to 11.2 eV. A trace of CCN- is observed at similar to 9.1 eV. The positions of the main dissociative attachment bands observed are close to positions of pi* resonances recently calculated by Sommerfeld and Knecht. Calculations have also been performed in this work, which confirm the position of the p* orbitals. The electron affinity of the CCCN radical is determined as 4.59 +/- 0.25 eV from the threshold for CCCN- formation at 1.32 +/- 0.15 eV. Dissociative electron attachment to this molecule will act as a source of negative ions in extraterrestrial environments where electrons are present with more than 1.3 eV energy.
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An effective frozen core approximation has been developed and applied to the calculation of energy levels and ionization energies of the beryllium atom in magnetic field strengths up to 2.35 x 10(5) T. Systematic improvement over the existing results for the beryllium ground and low-lying states has been accomplished by taking into account most of the correlation effects in the four-electron system. To our knowledge, this is the first calculation of the electronic properties of the beryllium atom in a strong magnetic field carried out using a configuration interaction approximation and thus allowing a treatment beyond that of Hartree-Fock. Differing roles played by strong magnetic fields in intrashell correlation within different states are observed. In addition, possible ways to gain further improvement in the energies of the states of interest are proposed and discussed briefly.
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Electron energy distributions of singly and doubly ionized helium in an intense 390 nm laser field have been measured at two intensities (0.8 PW/cm(2) and 1.1 PW/cm(2), where PW equivalent to 10(15) W/cm(2)). Numerical solutions of the full-dimensional time-dependent helium Schrodinger equation show excellent agreement with the experimental measurements. The high-energy portion of the two-electron energy distributions reveals an unexpected 5U(p) cutoff for the double ionization (DI) process and leads to a proposed model for DI below the quasiclassical threshold.
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A large-scale configuration interaction (Cl) calculation using Program CIV3 of Hibbert is performed for the lowest 62 fine- structure levels of the singly charged chlorine ion. Our calculated energy levels agree very well with most of the NIST results and confirm the identification of the lowest P-1(o) as actually 3s(2)3p(3)(D-2(o))3d P-1(o) rather than the generally employed 3s3p(5) P-1(o) in measurements and calculations. Discrepancies in the energy positions of some symmetries are found and discussed. Some large oscillator strengths for allowed and intercombination transitions in both length and velocity gauges are presented. Their close agreement gives credence to the accuracy of our CI wavefunctions.
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We have measured electron impact ionization cross-sections of hydrogen-like iron and hydrogen-like molybdenum with an electron beam ion trap. The measurements were performed in the electron energy range between 13.5 and 40 keV for hydrogen-like iron and between 50 and 80 keV for hydrogen-like molybdenum. (C) 2003 Elsevier Science B.V. All rights reserved.
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This paper presents an overview of R-matrix theory of electron scattering by diatomic and polyatomic molecules. The paper commences with a detailed discussion of the fixed-nuclei approximation which in recent years has been used as the basis of the most accurate ab initio calculations. This discussion includes an overview of the computer codes which enable electron collisions with both diatomic and polyatomic molecules to be calculated. Nuclear motion including rotational and vibrational excitation and dissociation is then discussed. In non-resonant energy regions, or when the scattered electron energy is not close to thresholds, the adiabatic-nuclei approximation can be successfully used. However, when these conditions are not applicable, non-adiabatic R-matrix theory must be used and a detailed discussion of this theory is given. Finally, recent applications of the theory to treat electron scattering by polyatomic molecules are reviewed and a detailed comparison of R-matrix calculations and experimental measurements for water is presented.
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The dynamics of high energetic electrons (>= 11.7 eV) in a modified industrial confined dual-frequency capacitively coupled RF discharge (Exelan, Lam Research Inc.), operated at 1.937 MHz and 27.118 MHz, is investigated by means of phase resolved optical emission spectroscopy. Operating in a He-O-2. plasma with small rare gas admixtures the emission is measured, with one-dimensional spatial resolution along the discharge axis. Both the low and high frequency RF cycle are resolved. The diagnostic is based on time dependent measurements of the population densities of specifically chosen excited rare gas states. A time dependent model, based on rate equations, describes the dynamics of the population densities of these levels. Based on this model and the comparison of the excitation of various rare gas states, with different excitation thresholds, time and space resolved electron temperature, propagation velocity and qualitative electron density as well as electron energy distribution functions are determined. This information leads to a better understanding of the dual-frequency sheath dynamics and shows, that separate control of ion energy and electron density is limited.