Molecular constants of LiCl(X~1Σ~+) and elastic collisions of two ground-state Cl and Li atoms at low and ultralow temperatures

Interaction potentials for LiCl(X 1 Σ +) are constructed by the highly accurate valence internally contracted mul-tireference configuration interaction in combination with a number of large correlation-consistent basis sets,which are used to determine the spectroscopic parameters (D 0,D e,R e,ω e,ω e χ e,B e and α e).The potentials obtained at the basis sets,i.e.,aug-cc-pV5Z-JKFI for Cl and cc-pV5Z for Li,are selected to study the elastic collision properties of Li and Cl atoms at the impact energies from 1.0×10 12 to 1.0×10 4 a.u.The derived total elastic cross sections are very large and almost constant at ultralow temperatures,and their shapes are mainly dominated by the s-partial wave at very low impact energies.Only one shape resonance can be found in the total elastic cross sections over the present collision energy regime,which is rather strong and obviously broadened by the overlap contributions of the abundant resonances coming from various partial waves.Abundant resonances exist for the elastic partial-wave cross sections until l=22 partial waves.The vibrational manifolds of the LiCl(X 1 Σ +) molecule,which are predicted at the present level of theory and the basis sets cc-pV5Z for Li and the aug-cc-pV5Z-JKFI for Cl,should achieve much high accuracy due to the employment of the large correlation-consistent basis sets.     

FeCo基纳米晶合金高温交换耦合作用机理

研究了500和600℃真空退火后的纳米晶Fe_38.4Co₄₀Si₉B₉Nb_2.6Cu合金初始磁导率随温度的变化规律,发现较高温度(600℃)退火的FeCo基纳米晶合金,在非晶相居里温度以上较宽温度范围内磁导率没有明显的衰减,这是在双相纳米晶合金中观察到的一种新现象,其磁特性不同于Fe基纳米晶合金.为了探明这种现象的起源,估算了与剩余非晶相同成分的非晶合金的居里温度及纳米晶粒间发生交换耦合作用的参数 关键词： 交换耦合作用 非晶相居里温度 交换耦合穿透深度     

Experimental study of whistle noise generated by insert edge and oil separator model of refrigeration cycle

The compressed air experiments are conducted to investigate the whistle noise radiated from the oil separator component of refrigerant cycle system. Two types of insert edge and a height-adjustable oil separator model are adopted. The acoustic characteristic of flow through plain top insert edge is more likely to be broadband. Flow through ramp top insert edge would induce whistle peaks at Mach number higher than 0.1197 and the oil separator model works like an acoustic amplifier. Moreover, the Strouhal number jumps are captured inside oil separator model and two mechanisms are presented to clarify the phenomena. First, the whistle noise at Modes A1, A3, B1 and B3 is regarded as coupling of shear layer instability with resonance acoustic modes of oil separator model. Second, the whistle noise at Modes A2 and B2 is regarded to be the feedback loop of flow-acoustic interaction in fluctuated shear layer and defined as jet-cavity interaction tones.     

A high resolution visible spectrum of iridium monophosphide

Laser induced fluorescence spectra of iridium monophosphide, IrP, have been obtained at low and high resolution in the blue region of the visible spectrum. Two electronic transitions were observed with origins near 459.6 and 471.9 nm. Three vibronic bands in each of these transitions have been observed at high resolution allowing for full characterization of the states. A J-independent doubling of the rotational lines has been ascribed to nuclear electric quadrupole coupling in the ground state. Multireference configuration interaction (MRCI) calculations have been performed in order to confirm the nature of the ground state and aid in the assignment of the excited states. The two observed transitions have been assigned as the [21.7]¹Σ⁺-X¹Σ⁺ and the [21.2] ³Σ⁺-X¹Σ⁺ electronic systems based on comparison with the theoretical calculations. The v + 2 level of each of these electronic transitions was found to be heavily perturbed and a successful deperturbation analysis was performed allowing for a complete global fit of the data.     

The influence of wire width on the charge distribution of transverse domain walls and their stray field interactions

We present here a numerical study of the magnetostatic charge distribution of transverse Néel type domain wall in permalloy nanowires. The calculations indicate that not only is the distribution highly non-uniform within a given transverse wall but it also varies dramatically with respect to the wire width. The implications of this for magnetostatic domain wall pinning are analyzed by considering the stray field interaction between a wall and another extended magnetic body for a particular domain wall chirality, where two distinct depinning mechanisms are observed depending on the wire width.     

Magnetic properties and phase diagram of ZnxNi1−xFe2O4: High-temperature series expansions

Using mean field theory and high-temperature series expansions (HTSEs), extrapolated with the Padé approximants method, the effect of Zn doping on magnetic properties of NiFe₂O₄ ferrite spinel has been studied. The nearest neighbour super-exchange interactions for intra-site (J_AA, J_BB) and inter-site (J_AB) of the Zn_xNi_1−xFe₂O₄ ferrites spinels, in the range 0≤x≤1, have been computed using the probability approach, based on Mössbauer data. The paramagnetic Curie-Weiss temperature θ and the Curie temperature T_C are calculated as a function of Zn concentration. The critical exponent γ associated with magnetic susceptibility is calculated. The spin correlation functions intra-plane and inter-plane have been also computed and compared with exchange couplings. The obtained theoretical results are in good agreement with experimental ones obtained by magnetic measurements and Mössbauer spectroscopy.     

Note on Implementation of Three-Qubit SWAP Gate

In this paper, the synthesis and implementation of three-qubit SWAP gate is discussed. The three-qubit SWAP gate can be decomposed into product of 2 two-qubit SWAP gates, and it can be realized by 6 CNOT gates. Research illustrated that although the result is very simple, the current methods of matrix decomposition for multi-qubit gate can not get that. Then the implementation of three-qubit SWAP gate in the three spin system with Ising interaction is investigated and the sequence of control pulse and drift process to implement the gate is given. It needs 23 control pulses and 12 drift processes. Since the interaction can not be switched on and off at will, the realization of three-qubit SWAP gate in specific quantum system also can not simply come down to 2 two-qubit SWAP gates.     

球状纳米系统高能级斯塔克效应和谱

以三层CdS/HgS/CdS球状纳米系统为例,研究了在电场和层间作用下球状纳米系统高能级斯塔克效应的能级分裂规律以及谱线的频率、强度和自发幅射系数的线度效应. 结果表明,系统的斯塔克效应在只有电场时,能级是按1,3,…,(2n—1)的规律进行分裂,与氢原子类似;有电场和层间同时作用时,能级是按1,4,…,n²的规律进行分裂. 量子跃迁时各谱线的频率均随系统线度增大而减小,除少数谱线外,多数谱线的强度随线度增大而减小,而自发幅射系数随线度增大而增大;电场会引起谱线的频率发生改变,其谱线频移量与电场强度的平方成正比;除少数谱线外,电场和层间作用引起的谱线频移量均随线度增大而减小;层间作用会使电子的能级稍有降低,稍微增大谱线的强度和自发幅射系数值,但它不会影响谱线的频率、强度和自发幅射系数随线度的变化趋势,在线度较小时层间作用的影响才显著.     

Raman spectroscopic studies of vibrational relaxation and non‐coincidence effect in substituted benzaldehyde binary mixtures

The molecular interaction in the binary mixture of 3‐phenoxybenzaldhyde (3Phbz) and 4‐ethoxybenzaldehyde (4Etob) was analysed in four different solvents. The concentration dependence of vibrational relaxation of the CO stretching band of 3Phbz in different solvents was investigated by varying the concentration of the solute molecule in the solvents by performing Raman spectroscopic measurements. The self‐associated nature and the formation of hydrogen‐bonded complexes in the solute molecule, 4Etob, were considered to analyse the wavenumber separation between the peaks of hydrogen‐bonded and free carbonyl groups. Copyright © 2009 John Wiley & Sons, Ltd.