984 resultados para orbital perturbations


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Motivated by recent experimental observation of spin-orbit coupling in carbon nanotube quantum dots [F. Kuemmeth , Nature (London) 452, 448 (2008)], we investigate in detail its influence on the Kondo effect. The spin-orbit coupling intrinsically lifts out the fourfold degeneracy of a single electron in the dot, thereby breaking the SU(4) symmetry and splitting the Kondo resonance even at zero magnetic field. When the field is applied, the Kondo resonance further splits and exhibits fine multipeak structures resulting from the interplay of spin-orbit coupling and the Zeeman effect. A microscopic cotunneling process for each peak can be uniquely identified. Finally, a purely orbital Kondo effect in the two-electron regime is also predicted.

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Baryon magnetic moments of p, n, Sigma(+), Sigma(-), Xi(0), Xi(-) and the beta decay ratios (G(A)/G(V)) of n -> p, Sigma(-) -> n and Xi(0) -> Sigma(+) are calculated in a colored quark cluster model. With SU(3) breaking, the model gives a good fit to the experimental values of those baryon magnetic moments and the beta decay ratios. Our results show that the orbital motion has a significant contribution to the spin and magnetic moments of those baryons and the strange component. in nucleon is small.

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Charge transfer due to collisions of ground state O3+ (2s(2)2p P-2) ions with molecular hydrogen is investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method, and electronic and vibrational state-selective cross sections along with the corresponding differential cross sections are calculated for projectile energies of 100, 500, 1000 and 5000 eV/u at the orientation angles of 25 degrees,45 degrees and 89 degrees. The adiabatic potentials and radial coupling matrix elements utilized in the QMOCC calculations were obtained with the spin-coupled valence-bond approach. The infinite order sudden approximation (IOSA) and the vibrational sudden approximation (VSA) are utilized to deal with the rotation of H-2 and the coupling between the electron and the vibration of H-2. It is found that the distribution of vibrationally resolved cross sections with the vibrational quantum number upsilon' of H-2(+) (upsilon') varies with the increment of the projectile energy; and the electronic and vibrational stateselective differential cross sections show similar behaviors: there is a highest platform within a very small scattering angle, beyond which the differential cross sections decrease as the scattering angle increases and lots of oscillating structures appear, where the scattering angle of the first structure decreases as E-P(-1/2) with the increment of the projectile energy E-P; and the structure and amplitude of the differential cross sections are sensitive to the orientation of molecule H-2, which provides a possibility to identify the orientations of molecule H-2 by the vibrational state-selective differential scattering processes.

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A shape phase transition is demonstrated to occur in W-190 by applying the projected shell model, which goes beyond the usual mean-field approximation. Rotation alignment of neutrons in the high-j, i(13/2) orbital drives the yrast sequence of the system, changing suddenly from prolate to oblate shape at angular momentum 10h. We propose observables to test the picture.

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he first order perturbations of the energy levels of a stationary hydrogen atom in a static external gravitational field, with Schwarzschild metric, are investigated. The energy shifts are calculated for the relativistic 1S, 2S, 2P, 3S, 3P, 3D, 4S, 4P, 4D, and 4F levels. The results show that the energy-level shifts of the states with total angular momentum quantum number 1/2 are all zero, and the ratio of absolute energy shifts with total angular momentum quantum number 5/2 is 145. This feature can be used to help us to distinguish the gravitational effect from other effects.

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The single charge transfer process in He-3(2+)+He-4 collisions is investigated using the quantum-mechanical molecular-orbital close-coupling method, in which the adiabatic potentials and radial couplings are calculated by using the ab initio multireference single- and double-excitation configuration interaction methods. The differential cross sections for the single charge transfer are presented at the laboratorial energies E = 6 keV and 10 keV for the projectile He-3(2+). Comparison with the existing data shows that the present results are better in agreement with the experimental measurements than other calculations in the dominant small angle scattering, which is attributed to the accurate calculations of the adiabatic potentials and the radial couplings.

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The first-order perturbations of the energy levels of a hydrogen atom in central internal gravitational field are investigated. The internal gravitational field is produced by the mass of the atomic nucleus. The energy shifts are calculated for the relativistic 1S, 2S, 2P, 3S, 3P, 3D, 4S, and 4P levels with Schwarzschild metric. The calculated results show that the gravitational corrections are sensitive to the total angular momentum quantum number.

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We utilize slow highly charged ions of Xeq+ and Pbq+ to irradiate GaN crystal films grown on sapphire substrate, and use X-ray photoelectron spectroscopy to analyze its surface chemical composition and chemical state of the elements. The results show that highly charged ions can etch the sample surface obviously, and the GaN sample irradiated by highly charged ions has N depletion or is Ga rich on its surface. Besides, the relative content of Ga-Ga bond increases as the dose and charge state of the incident ions increase. In addition, the binding energy of Ga 3d(5/2) electrons corresponding to Ga-Ga bond of the irradiated GaN sample is smaller compared with that of the Ga bulk material. This can be attributed to the lattice damage, which shifts the binding energy of inner orbital electrons to the lower end.

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Parity (P)-odd domains, corresponding to nontrivial topological solutions of the QCD vacuum, might be created during relativistic heavy-ion collisions. These domains are predicted to lead to charge separation of quarks along the orbital momentum of the system created in noncentral collisions. To study this effect, we investigate a three-particle mixed-harmonics azimuthal correlator which is a P-even observable, but directly sensitive to the charge-separation effect. We report measurements of this observable using the STAR detector in Au + Au and Cu + Cu collisions at root s(NN) = 200 and 62 GeV. The results are presented as a function of collision centrality, particle separation in rapidity, and particle transverse momentum. A signal consistent with several of the theoretical expectations is detected in all four data sets. We compare our results to the predictions of existing event generators and discuss in detail possible contributions from other effects that are not related to P violation.

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Charmed baryon spectroscopy has been studied under a string model. In this model, charmed baryons are composed of a diquark and a charm quark which are connected by a constant tension. In this diquark picture, the quantum numbers J(P) of confirmed baryons have been well assigned. Energies of the first and second orbital excitations have been predicted and compared with the experimental data. Meanwhile, diquark masses have been extracted in the background of charm quark which satisfy a splitting relation based on spin-spin interaction.

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The reactions of (1) CH4 + MgO --> MgOH. + CH3. and (2) CH4 + MgO --> Mg + CH3OH have been studied on the singlet spin state potential energy surface at the MP2/6-311+G(2d,2p) level. These two reaction channels, both involving intermediates and transition states, have been rationalized by the structures of the species involved, natural bond orbital (NBO), and vibrational frequency analysis. We have considered two initial interacting models between CH4 and MgO: a collinear C-H approach to the O end of the MgO forming the MgOCH4 complex with C-3nu symmetry and three hydrogen atoms of the methane point to the Mg end of the MgO forming the OMgCH4 complex with C-1 symmetry. The calculations predict that reactions 1 and 2 are exothermic by 39.8 and 86.5 kJ mol(-1), respectively. Also, the former reaction proceeds more easily than the latter, and the complex HOMgCH3 is energetically preferred in the reaction of MgO + CH4.

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Net organic metabolism (that is, the difference between primary production and respiration of organic matter) in the coastal ocean may be a significant term in the oceanic carbon budget. Historical change in the rate of this net metabolism determines the importance of the coastal ocean relative to anthropogenic perturbations of the global carbon cycle. Consideration of long-term rates of river loading of organic carbon, organic burial, chemical reactivity of land-derived organic matter, and rates of community metabolism in the coastal zone leads us to estimate that the coastal zone oxidizes about 7 × 1012 moles C/yr. The open ocean is apparently also a site of net organic oxidation (∼16 × 1012 moles C/yr). Thus organic metabolism in the ocean appears to be a source of CO2 release to the atmosphere rather than being a sink for atmospheric carbon dioxide. The small area of the coastal ocean accounts for about 30% of the net oceanic oxidation. Oxidation in the coastal zone (especially in bays and estuaries) takes on particular importance, because the input rate is likely to have been altered substantially by human activities on land.

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The vertical growth of shoots of the seagrass Thalassia testudinum Banks ex Konig in four meadows, along a range of exposure to waves, in the Mexican Caribbean was examined to elucidate its magnitude and its relationship to sediment dynamics. Average internodal length varied between 0.17 and 12.75 mm, and was greatest in the meadow which experienced the greatest burial by sand waves moved by Hurricane Gilbert (September 1988). Internodal length showed annual cycles, confirmed by the flower scars always preceding or coinciding with the annual minimum internodal length. These annual cycles on the shoot allowed estimation of annual leaf production, which varied, on average, between 14.2 and 19.3 leaves per shoot year-1. High vertical shoot growth was associated with long internodes and high leaf production rate, which increased with increasing vertical shoot growth to a maximum of approximately 25 leaves per shoot year-1, with vertical growth of about 30 mm year-1 or more. Average internodal length showed substantial interannual differences from perturbations derived from the passage of Hurricane Gilbert. The growth response of the plants surviving moderate burial and erosion after the hurricane involved enhanced vertical growth and increased leaf production, and reduced vertical growth, respectively, after 1988. The variability in shoot vertical growth of T testudinum can be separated into seasonal changes in plant growth, and long-term variability associated with episodic perturbations involving sediment redistribution by hurricanes.

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轨道机动是航天器执行空间任务的基础,对轨道机动进行优化设计非常重要。 近年来,小推力发动机技术不断成熟,由于小推力发动机具有高比冲、低成本的优点,逐渐被用于轨道机动系统中。小推力轨道机动与常规轨道机动的不同在于小推力情况下,航天器变轨时间长,推力作用时间长,这使小推力轨道机动的优化设计极为困难。因此,小推力轨道机动优化成为航天器轨道机动优化领域的难点和热点,吸引了大批学者的关注和研究。本文对基于进化算法的小推力轨道转移时间-能量优化方法进行了研究。 由于进化算法属于一种参数优化方法,不能直接用于求解泛函形式表示的轨道转移优化问题。因此,本文引入并改进了一种基于Lyapunov反馈控制律的小推力转移轨道设计方法,使用该方法将小推力轨道转移最优控制问题转换成适合进化算法求解的多目标优化问题。 为了求解转换后的多目标优化问题,提出了一种 支配混合多目标进化算法。该算法使用基于 支配概念的选择算子,在保持群体多样性的同时,避免了许多多目标进化算法存在的退化现象。同时,为了改进算法局部搜索能力,将局部搜索方法与算法结合,构造出串行混合算法结构。 数值实验证明,本文提出的方法能够有效求解小推力轨道转移时间-能量优化问题。

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The synthesis, structures, photophysics, electrochemistry and electrophosphorescent properties of new red phosphorescent cyclometalated iridium(III) isoquinoline complexes, bearing 9-arylcarbazolyl chromophores, are reported. The functional properties of these red phosphors correlate well with the results of density functional theory calculations. The highest occupied molecular orbital levels of these complexes are raised by the integration of a carbazole unit to the iridium isoquinoline core so that the hole-transporting ability is improved in the resulting complexes relative to those with I-phenylisoquinoline ligands. All of the complexes are highly thermally stable and emit an intense red light at room temperature with relatively short lifetimes that are beneficial for highly efficient organic light-emitting diodes (OLEDs).