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1.
An accurate calculation of the lowest negative electronic state of H 2 - (fixed nuclei) is reported using the CCSD(T) method and doubly augmented cc-pv5z basis set. Comparison has been made with the reference data by Senekowitsch et al. [Chem. Phys. Lett. 111 (1984) 211]. Owing to larger size of the basisset and inclusion of triple excitations, no vertical shift in this work is necessary to reproduce the asymptotics of H + H -. In addition, the effect of basis-set truncation is estimated, based on the complete-basis-set extrapolation method. The contribution of correlated electron-proton motion to the electron-energy curve for H2 dynamics is pointed out.Dedicated to Prof. Jií Horáek on the occasion of his 60th birthday.  相似文献   

2.
The parameters of hyperfine interactions in Pb3+F 8 ? F a ? tetragonal clusters of MeF2 crystals (Me=Ca, Sr, Ba) are interpreted. The contributions of the spin polarization to the parameters of the proper hyperfine interaction and additional (ligand) hyperfine interactions are calculated in the approximation of weak binding between a charge-compensating ion F a ? and a cubic fragment in the tetragonal cluster. It is demonstrated that correct inclusion of the contributions from the spin polarization to the ligand isotropic hyperfine interaction for the F a ? ion leads to anomalously large parameters of this interaction for MeF2 crystals. These results are in agreement with experimental data.  相似文献   

3.
The absorption spectra of molecular hydrogen plasma excited by electric hollow-cathode and high-frequency discharges are measured. The spectra in the region of 1.06 μm were recorded using a neodymium intracavity laser spectrometer with a resolution of 0.03 cm?1 and an absorption sensitivity of 10?8 cm?1. The absorption lines that can be attributed to the transitions to vibrational states in the molecule are recorded.  相似文献   

4.
Using time-resolved photoelectron spectroscopy, the decay channels of AuO2 and Au2O2 following photoexcitation with 3.1-eV photons have been studied. For AuO2, a state with a rather long lifetime of 30 ps has been identified. Its decay path could not be determined but photodesorption can be excluded. For Au2O2, the spectra indicate O2 desorption after 3.1-eV photoexcitation on a time scale of 1 ps. While comparing these results on Au n O2 with analogous data on Ag n O2 clusters, a discernible pattern emerges: for dissociatively bound O2(AuO2, Ag3O2), there are long-living excited states which do not decay by oxygen desorption, while for molecular chemisorption (Au2O2, Ag2O2, Ag4O2, Ag8O2), the 3.1-eV photoexcitation triggers fast O2 desorption with a high quantum yield.  相似文献   

5.
A theory is developed to describe dissociative recombination of a slow electron with a ground-state molecular ion of oxygen driven by a strong monochromatic electromagnetic field. Mathematically, the theory is based on the time-independent formalism of radiative scattering matrix whose poles correspond to dressed intermediate states of the complex. The analysis embraces both transitions to dissociative states and laserinduced nonadiabatic transitions to intermediate bound states of valence configurations. Key reaction mechanisms are considered, and a classification is given of all allowed transitions to dissociative states. Partial and total reaction cross sections are calculated by taking into account the contributions from Rydberg, valence, and dissociative states of O2**. A detailed discussion of results is presented, and feasibility of laser control of the reaction is demonstrated.  相似文献   

6.
The dissociative recombination theory of slow electrons with molecular ions in a strong monochromatic light field is developed. Classifications of all possible transitions and reaction mechanisms are presented. The potential energy curves of the oxygen molecule O2** dissociative states and partial cross sections are calculated.  相似文献   

7.
Powders of the B-type synthetic apatite exposed to gamma or ultraviolet irradiation were investigated using EPR spectroscopy. It was shown that ultraviolet irradiation leads to the appearance of the EPR spectrum near g = 2, which is similar to the spectrum observed upon gamma irradiation. The decomposition of the EPR spectra into components and the simulation of the shape of the experimental EPR signals revealed that these signals are associated primarily with two types of CO 2 ? radicals, namely, the axial CO 2 ? radicals and the orthorhombic CO 2 ? radicals. The differences in the shapes of the EPR spectra of the samples exposed to gamma and ultraviolet irradiation were explained by different ratios between the axial and orthorhombic CO 2 ? radicals. It was established that thermal annealing results in an increase in the relative contribution to the total EPR spectrum. This increase was explained by the transformation of the orthorhombic radicals into the axial radicals.  相似文献   

8.
9.
The near-threshold 12C(02+) resonance provides unique possibility for fast helium burning in stars, as predicted by Hoyle to explain the observed abundance of elements in the Universe. Properties of this resonance are calculated within the framework of the α cluster model whose two-body and three-body effective potentials are tuned to describe the α-α scattering data, the energies of the 01+ and 02+ states, and the 01+-state rootmean-square radius. The extremely small width of the 02+ state, the 02+ → 01+ monopole transition matrix element, and transition radius are found in remarkable agreement with the experimental data. The 02+-state structure is described as a system of three α particles oscillating between the ground-state-like configuration and the elongated chain configuration whose probability exceeds 0.9.  相似文献   

10.
The UV absorption spectra of F3? molecular ions in LaF3, SrF2, CaF2, and BaF2 crystals doped with rare-earth elements are studied. Comparison of radiation-colored and additively colored crystals reveals the absorption bands of F3? hole centers in the region near 6 eV. Nonempirical calculations of optical transitions agree well with experimental results.  相似文献   

11.
Be2GeO4 polycrystalline samples preliminarily irradiated by fast neutrons (E ~ 1 MeV, Φ = 4.5 × 1017 cm?2) were studied by photoluminescence spectroscopy using synchrotron radiation pulses for excitation. The neutron-induced luminescence band observed at 1.7 eV in the spectra of the irradiated samples is assigned to the radiative relaxation of a molecular ion O 2 ? . The luminescence of these defects in the Be2GeO4 structure is effectively excited by 4.7-and 5.2-eV photons. At low temperatures (10 K), the profiles of the photoluminescence and excitation bands have a fine structure characteristic of electron-vibration interactions. The vibration frequencies for the ground state (v1 = 161 cm?1) and two excited states (v2 = 672 cm?1 and v3 = 887?1451 cm?1) were measured. Potential curves of the energy states of the O 2 ? center are constructed in terms of the Morse model using the experimental data. The optical spectrum fine structure is shown to be predominantly due to intrinsic vibrations of the molecular defect.  相似文献   

12.
Hypernuclei are used to study the baryon-baryon weak interaction and associated effective weak Hamiltonian. We will show how the proper choice of hypernucleus can be used to pick out components of the effective weak Hamiltonian. It is well known that removing one nucleon from 9Be or 9B results in 8Be* with a subsequent αα decay. Through this unique process, it would be possible to identify final states of the residual nucleus. So, due to these specific properties of the core nuclei 9Be and 9B, it may be possible to measure the branching fractions Γ ααi n(p) for the exclusive decays of the Λ 10 Be ( Λ 10 B) hypernuclei.  相似文献   

13.
The efficient oscillation of LiF:F2 color center laser pumped by a compact LD-pumped Nd:YVO4 acousto optically Q-switched laser with 30 kHz pulse repetition rate was demonstrated. The broadband oscillation with 75 μJ pulse energy and 37 kW peak power with the slope efficiency 20% was obtained. The average output power as high as 230 mW was reached. The narrow line tunable from 1.10 to 1.29 μm laser radiation with 10% conversion efficiency in the maximum of the tuning curve was achieved under pumping with 1.6 W average pump power.  相似文献   

14.
The difference in the 332-and 326-keV transition energies from 178Ta decay is measured with a magnetic β spectrometer and a γ spectrometer. The energy of the 332-keV transition (E(332) = 331 607 ± 4 eV) and the energy of the 8 2 ? 1479-keV level in 178Hf (E(1479) = 1479001 ± 6 eV) are determined with high accuracy.  相似文献   

15.
The Λ 7 He hypernucleus is considered within the Λ 5 He + n + n cluster model. The hyperon—nucleon interaction is described by a one-boson-exchange potential that is constructed on the basis of the NSC97f model. Phenomenological potentials are used to describe the αΛ and αN interactions. For the Λ 5 Hen interaction, use is made of the folding-model potential. The calculations of the hyperon binding energy in the ground state of the Λ 7 He hypernucleus on the basis of Faddeev equations in configuration space yield a result (5.35 MeV) that agrees well with preliminary experimental data (5.4 MeV). The problem of calculating the hyperon binding energy within the three-body approach is discussed. In calculating the energy spectrum of Λ 7 He, use is made of a version of the method of analytic continuation in the coupling constant. Low-lying excited states of this nucleus can be classified as an analog of the corresponding states of the 6He nucleus with allowance for the clustering of the Λ 5 He+n+n system in the 6He(J π)+Λ(s) form.  相似文献   

16.
The effect of the 16O ? 18O substitution in the coordination sphere of permanganate anion MnO 4 ? on the chemical shift of 55Mn nuclei have been studied by 17O and 55Mn NMR. Time constants τ n,k of oxygen exchange in the water–permanganate anion system have been estimated. In nearly neutral solutions (pH ≈ 6.8–7.2), the oxygen exchange time is on the order of tens of hours. Bubbling gaseous HCl through this solution for a few seconds leads to the equilibrium distribution of oxygen isotopes in the manganese coordination sphere. The observed temperature dependences of isotope-induced 55Mn NMR shifts in Mn16 O 44-n 18 O n (n = 0–4) have been treated as a result of rovibrational averaging of Mn–O bond lengths. The change in the Mn—O bond length in caused by the 16O → 18O isotope substitution is on the order of 10–4 Å.  相似文献   

17.
Amorphous nickel hydroxide codoped with Fe3+ and CO32− was synthesized by micro-emulsion precipitation method combined with rapid freezing technique. The microstructure and composition of the sample were characterized by X-ray diffraction and IR analysis. The electrochemical performance of the sample was analyzed by cyclic voltammetry, electrochemical impedance spectroscopy, and charge–discharge tests. The results showed that the Fe3+ and CO32− codoping enhances the amorphous feature of the prepared nickel hydroxide. Moreover, the Fe3+ and CO32− codoping could increase the specific capacity and improve the electrochemical reversibility of the amorphous nickel hydroxide electrode.  相似文献   

18.
In the framework of a model of zero-range potential, the problem of bound states of an electron in the field of two D0 centers (a two-center problem) in a semiconductor quantum wire is considered in the presence of a longitudinal magnetic field. It is shown that the magnetic field produces a significant shift of g and u terms and stabilizes the D 2 ? states in quantum wires. It is found that, in the case of transverse polarization of light, the spectral dependence of the photoionization cross section of a D 2 ? center exhibits the quantum-confined Zeeman effect with strongly pronounced oscillations of interference nature.  相似文献   

19.
We have studied the effect of bombardment by Cu+ and Ti+ ions with energy 30 keV on the optical absorption and luminescence of F centers in oxygen-deficient aluminum oxide. We have shown that in the induced optical absorption spectra there are six components of gaussian shape, which can be assigned to absorption bands of F+, F2, and F2+ centers. We have established that bombardment of the samples by ion beams has a weak effect on the thermoluminescence parameters in the 3.0 eV and 2.4 eV bands, while in the 3.8 eV luminescence band for F+ centers, the thermoluminescent response increases considerably. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 75, No. 3, pp. 422–424, May–June, 2008.  相似文献   

20.
We study the exclusive Λb→Λℓ+- decay in the Appelquist, Chang, Dobrescu model with a single universal extra dimension. We investigate the sensitivity of the branching ratio, lepton polarization and forward–backward asymmetry to the compactification parameter 1/R. We obtain the result that the branching ratio for the Λb→Λℓ+- (ℓ=μ,τ) decay changes about 25% compared to the SM value when 1/R=250 GeV, and the zero position of the forward–backward asymmetry is shifted to the left compared to the SM result. Therefore, measurement of the branching ratio of Λb→Λℓ+- decay and determination of the zero position of are very useful in looking for new physics in the framework of the UED models. PACS 12.60.-i; 13.30.-a; 14.20.Mr  相似文献   

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