Molecular properties and potential energy function model of BH under external electric field

Using the density functional B3P86/cc-PV5Z method, the geometric structure of BH molecule under different external electric fields is optimized, and the bond lengths, dipole moments, vibration frequencies, and other physical properties parameters are obtained. On the basis of setting appropriate parameters, scanning single point energies are obtained by the same method and the potential energy curves under different external fields are also obtained. These results show that the physical property parameters and potential energy curves may change with external electric field, especially in the case of reverse direction electric field. The potential energy function without external electric field is fitted by Morse potential, and the fitting parameters are obtained which are in good agreement with experimental values. In order to obtain the critical dissociation electric parameter, the dipole approximation is adopted to construct a potential model fitting the corresponding potential energy curve of the external electric field. It is found that the fitted critical dissociation electric parameter is consistent with numerical calculation, so that the constructed model is reliable and accurate. These results will provide important theoretical and experimental reference for further studying the molecular spectrum, dynamics, and molecular cooling with Stark effect.     

A Defect Effect to Light Transmission through Acute Bending Coupled Cavity Waveguide in a Two-Dimensional Photonic Crystal

Light propagation through a coupled-defect waveguide with a 63.5° bend in a two-dimensional （2D） photonic crystal is investigated. The waveguide modes are non-degenerate monopole state and dipole defect state of a square lattice for two different branches. To increaze the transmission in the bending waveguide, we propose a method to rotate the localized state by introducing a cavity. The higher coupling efficiency and transmission shift. new type defect with a sheared square rod into coupled in the bending waveguide are obtained with proper shear     

Effect of the Tensor Force on Charge-Exchange Spin-Dependent Multipole Excitations

The charge-exchange spin-dipole （SD） and spin-quadrupole （SQ） strength functions of 90Zr are calculated with and without the tensor terms of the Skyrme interaction in self-consistent HF＋RPA approach. It is found that, in SD and SQ transitions, the RPA correlations associated with the tensor terms shin dramatically the strengths of （Ylσ）λ = l？1 and （Ylσ）λ = 1 modes upward and downward, respectively, and also shift the strengths of （Ylσ）λ = l ＋ 1 modes upward. The coupling between （Yl = λ ？ 1σ）λ and （Yl = λ ＋ 1σ）λ modes arising from the tensor correlation is noticeable. The RPA tensor correlations produce strengths of SD and SQ modes, which are distributed in a much wider energy range, and the （Ylσ）λ = l ？ 1 modes dominate the high energy part of the strength functions. These energy shifts and coupling effects of different modes can be understood qualitatively by expressing a finite range tensor force in a separable form.     

Transmission Loss due to Modes Conversion Caused by Random Surface Imperfections in Left-Handed-Material Slab Waveguides

Based on the orthogonality relations among the modes in left-handed-material （LHM） slab waveguides （SWGs）, we derive the coupled equations among the modes caused by imperfect surfaces, and compute the transmission loss due to mode conversion. The computation shows that the transmission loss is very large, which is due to three facts： （1） there exist slow waves in the LHM SWG, whose electric field is mainly distributed in the surface; （2） the absence of fundamental node-less modes, so the fundamental modes have a node, whose electric field is also mainly distributed in the surface, and （3） the different focusing effects of the random RHM and LHM imperfections cause the electric field to suffer from severe deformations aggravated by the electric field distribution of the guided wave and the slow wave, which of course dissipates the power carried by the guided wave more severely. Therefore, we can safely conclude that the LHM SWG is unsuitable for transmitting the fundamental modes with a node.     

Isospin Effects on Anisotropic Flows in Intermediate Energy Heavy Ion Collisions

Anisotropic flows per nucleon （v1/A, v2/A, v3/A and v4/A） of light fragments up to the mass number 4 as a function of transverse momentum per nucleon are studied for 55 Me V/nucleon 58Fe＋58Fe and 58 Ni＋ 58 Ni at large impact parameters by the isospin-dependent quantum molecular dynamics model. The effects of symmetry energy and nucleon-nucleon cross sections, which are both isospin-dependent on anisotropic flows, are studied in detail. In comparison of the two systems with or without symmetry potential term, the results show that the strength of flows is sensitive to symmetry potential and nucleon-nucleon cross sections, which mainly cause a repulsion effect in this energy region.     

Effects of A1 site occupation on dielectric and ferroelectric properties of Sr4CaRTi3Nb7O30（R=Ce,Eu） tungsten bronze ceramics

Sr4Ca RTi3Nb7O30（R = Ce, Eu） tungsten bronze ceramics are prepared by a standard solid state reaction method. The effects of A1 site occupation on the dielectric and ferroelectric properties of Sr4 Ca RTi3Nb7O30（R = Ce, Eu） tetragonal tungsten bronzes are investigated. The Sr4 Ca Ce Ti3Nb7O30 shows a normal transition behavior due to the closer size ion occupation in A1 sites, which could suppress the distortion of B2 octahedra effectively. Sr4 Ca Eu Ti3Nb7O30 ceramic exhibits two dielectric anomalies, which might be related to the fact that the large radius difference between Ca^2＋ and Eu^3＋ could lead to the uneven distribution of Ca^2＋ and Eu^3＋ in A1 sites and form two slightly different kinds of compositions with different transition temperatures in the structure. Our results indicate that the ionic radius difference in A1 sites plays an important role in determining the dielectric and ferroelectric natures of the filled tungsten bronze ceramics. Polarization–electric field（P–E） curves are evaluated at room temperature and both of them show hysteresis loops. Sr4 Ca Ce Ti3Nb7O30 shows a fat hysteresis loop, indicating the long-range ferroelectric order in the ceramic. The current density–electric field（J–E） curves are measured at room temperature with a largest leakage current density of ～ 10^-6A/cm^2, indicating that their leakage currents are rather low.     

Guided modes in asymmetric metal-cladding left-handed material waveguides

We investigate guided modes in the asymmetric waveguide structure with a left-handed material (LHM) layer surrounded by air and metal. A graphical method is proposed to determine the guided modes. New properties of the oscillating and surface guided modes, such as absence of the fundamental mode, coexistence of the oscillating and surface guided modes, fast attenuation of the surface guided modes, and mode degeneracy, are analyzed in detail. We also investigate dispersive characteristics of the metal-LHM- air optical waveguide. The propagation constant increases with decreasing slab thickness for the first-order oscillating mode, which is different from that in traditional metal-cladding waveguides.     

Effect of Reagent Vibrational and Rotational Excitation on the F＋H2 Reaction： Theoretical Study of the Stereodynamics Using Quasi-Classical Trajectory Method

The vector correlations in the reaction F＋H2 （v =0-3, j =0-3）→ HF（v＇, j＇）＋H are investigated using the quasi- classical trajectory method on the Stark-Werner potential energy surface at a collision energy of 1.0eV. The potential distribution P（θr） to angles between k and j＇, the distribution P（Фr） to dihedral angles, denoting k - k＇ - j＇ correlation and the polarization-dependent generalized differential cross sections, are calculated. The effect of reagent vibrational and rotational excitation on the F＋H2 reaction is discussed in detail The results suggest that the different vibrational and rotational quantum states of H2 have different influences on the product polarization.     

Analytical Solutions of Electromagnetic Fields from Current Dipole Moment on Spherical Conductor in a Low-Frequency Approximation

We analytically derive the solutions for electromagnetic fields of electric current dipole moment, which is placed in the exterior of the spherical homogeneous conductor, and is pointed along the radial direction. The dipole moment is driven in the low frequency f = 1 kHz and high frequency f = 1 GHz regimes. The electrical properties of the conductor are appropriately chosen in each frequency. Electromagnetic fields are rigorously formulated at an arbitrary point in a spherical geometry, in which the magnetic vector potential is straightforwardly given by the Biot- Savart formula, and the scalar potential is expanded with the Legendre polynomials, taking into account the appropriate boundary conditions at the spherical surface of the conductor. The induced electric fields are numerically calculated along the several paths in the low and high frequeny excitation. The self-consistent solutions obtained in this work will be of much importance in a wide region of electromagnetic induction problems.     

One Step to Generate Cluster States Using Dipole-Induced Transparency in a Cavity-Waveguide System

We present a very simple scheme for generating four-qubit cluster states with one step using parity measurement based on dipole-induced transparency in a cavity-waveguide system. The scheme only uses the photon detectors to check the parity of the spatially separated dipole, which are the same （even parity） or different （odd parity） through measuring the light fields in the waveguide. The initial entangled states remain after nondetective identification and they can be used for successive tasks.     

Super energy flows in a waveguide filled with air and left-handed materials

The phenomena of super energy flows are studied theoretically and numerically in a parallel-plate waveguide which is filled with two layered equally-thick different media, i.e. air and specific left-handed materials (LHM) with $\epsilon_{{\rm r}1}=-1/(1+\delta)+\i\gamma$ and $\mu_{{\rm r}1}=-(1+\delta)+\i\gamma$. In this special waveguide, two-directional super-energy flows are excited by a three-dimensional horizontal electric dipole at the same time, which has transmission patterns different from those of two-dimensional source and three-dimensional vertical electric dipole. We also show that the retardation and loss in LHM are sensitive to the amplitude of super power densities, and the dimensions of waveguide determine the propagating modes, which makes super energy flows more practical.     

Electron tunnelling phase time and dwell time through an associated delta potential barrier

The electron tunnelling phase time τP and dwell time τD through an associated delta potential barrier U(x) = ξδ(x) are calculated and both are in the order of 10^-17～10^-16s. The results show that the dependence of the phase time on the delta barrier parameter ξ can be described by the characteristic length lc = h^2/meξ and the characteristic energy Ec=meξ^2/h^2 of the delta barrier, where me is the electron mass, lc and Ec are assumed to be the effective width and height of the delta barrier with lcEc=ξ, respectively. It is found that TD reaches its maximum and τD = τp as the energy of the tunnelling electron is equal to Ec/2, i.e. as lc =λDB, λDB is de Broglie wave length of the electron.     

激光冷却SH~–阴离子的理论研究

本文采用多组态相互作用及Davidson修正方法和全电子基组计算了SH~-阴离子的X~1∑~+,a~3∏和A~1∏态的势能曲线、电偶极矩和跃迁偶极矩.计算的光谱常数与实验值及已有的理论值符合得很好.在计算中考虑了自旋-轨道耦合效应.计算得到a~3∏_1(v'=0)?X~1∑_(0+)~+(v"=0)和A~1∏_1(v'=0)?X~1Σ_(0+)~+(v"=0)跃迁具有高对角分布的弗兰克-康登因子,分别为0.9990和0.9999;计算得到a~3∏_1和A~1∏_1态的自发辐射寿命分别为1.472和0.188 ms.A~1∏_1?X~1∑_(0+)~+跃迁存在中间态a~3∏_(0+)和a~3∏_1,但中间态对激光冷却SH~-阴离子的影响可以忽略.分别利用a~3∏_1(v'=0)? X~1∑_(0+)~+(v"=0)和A~1∏_1(v'=0)? X~1∑_(0+)~+(v"=0)跃迁构建了准闭合的能级系统,冷却所需的激光波长分别为492.27和478.57 nm.最后预测了激光冷却SH~-阴离子能达到的多普勒温度和反冲温度.这些结果为进一步实验提供了理论参数.     

Kiselev黑洞的热力学性质和物质吸积特性

本文考虑带有黑洞视界和宇宙视界的Kiselev时空.研究以黑洞视界和宇宙视界为边界的系统的热力学性质.统一地给出了两个系统的热力学第一定律;在黑洞视界半径远小于宇宙视界半径的情况下,近似地计算了通过宇宙视界和黑洞视界的热能.然后,探讨Kiselev时空的物质吸积特性.在吸积能量密度正比于背景能量密度的条件下给出黑洞的吸积率,讨论了黑洞吸积率与暗能量态方程参数的关系.     

SF_6分子最高占据轨道对称性的判断

量化计算是理论研究分子的重要手段,对于具有高对称群的分子,采用子群计算是常用的方法.分子的电子态或分子轨道等的对称性在子群的表示中会出现重迭,从而不能从子群的结果直接给出电子态或分子轨道对称性的归属.本文以如何判断SF6基态1 A_(1g)的电子组态中最高占据轨道的对称性为例来解决这个问题.针对某些文献中的SF6基态1 A1g的电子组态中,最高占据轨道对称性是T_(1g)却写成T_(2g)的问题,采用Molpro量化计算软件,对SF6基态的平衡结构,进行了HF/6-311G*计算,得到了能量三重简并的最高占据轨道的函数表达式,进而运用O_h群的对称操作作用在三个轨道函数上,得到各操作的矩阵表示,于是得到特征标,最后确定了最高占据轨道为T_(1g)对称性.     

The entropic squeezing of superposition of two arbitrary coherent states

In this paper the superpositions of two arbitrary coherent states ｜ψ〉 = α ｜β｜ ＋ be^iψ ｜mβe^iδ〉 are constructed by using the superposition principle of quantum mechanics. The entropic squeezing effects of the quantum states are studied. The numerical results indicate that the amplitudes, the ratio between the amplitudes of two coherent states, the phase difference between the two components and the relative phase of the two coefficients play important roles in the squeezing effects of the position entropy and momentum entropy.     

The upper bound on the tensor-to-scalar ratio consistent with quantum gravity

We consider the polynomial inflation with the tensor-to-scalar ratio as large as possible which can be consistent with the quantum gravity(QG) corrections and effective field theory(EFT). To get a minimal field excursion Δ? for enough e-folding number N, the inflaton field traverses an extremely flat part of the scalar potential, which results in the Lyth bound to be violated. We get a CMB signal consistent with Planck data by numerically computing the equation of motion for inflaton ? and using Mukhanov–Sasaki formalism for primordial spectrum. Inflation ends at Hubble slow-roll parameter ■. Interestingly, we find an excellent practical bound on the inflaton excursion in the format ■, where a is a tiny real number and b is at the order 1. To be consistent with QG/EFT and suppress the high-dimensional operators, we show that the concrete condition on inflaton excursion is ■. For n_s= 0.9649,N_e= 55, and ■0.632 MPl, we predict that the tensor-to-scalar ratio is smaller than 0.0012 for such polynomial inflation to be consistent with QG/EFT.     

New two-fold integration transformation for the Wigner operator in phase space quantum mechanics and its relation to operator ordering

Using the Weyl ordering of operators expansion formula (Hong-Yi Fan, \emph{ J. Phys.} A {\bf 25} (1992) 3443) this paper finds a kind of two-fold integration transformation about the Wigner operator $\varDelta \left( q',p'\right) $ ($\mathrm{q}$-number transform) in phase space quantum mechanics, $\iint_{-\infty}^{\infty}\frac{{\rm d}p'{\rm d}q'}{\pi }\varDelta \left( q',p'\right) \e^{-2\i\left( p-p'\right) \left( q-q'\right) }=\delta \left( p-P\right) \delta \left( q-Q\right),$ and its inverse% $ \iint_{-\infty}^{\infty}{\rm d}q{\rm d}p\delta \left( p-P\right) \delta \left( q-Q\right) \e^{2\i\left( p-p'\right) \left( q-q'\right) }=\varDelta \left( q',p'\right),$ where $Q,$ $P$ are the coordinate and momentum operators, respectively. We apply it to study mutual converting formulae among $Q$--$P$ ordering, $P$--$Q$ ordering and Weyl ordering of operators. In this way, the contents of phase space quantum mechanics can be enriched. The formula of the Weyl ordering of operators expansion and the technique of integration within the Weyl ordered product of operators are used in this discussion.     

The influence of collision energy on magnetically tuned 6Li-6Li Feshbach resonance

The effect of collision energy on the magnetically tuned $^{6}$Li-$^{6}$Li Feshbach resonance (FR) is investigated theoretically by using the coupled-channel (CC) method for the collision energy ranging from 1 μ$ {\rm K} \cdot {k}_{\rm B}$ to 100 μ$ {\rm K} \cdot {k}_{\rm B}$. At the collision energy of 1 μ$ {\rm K} \cdot {k}_{\rm B}$, the resonance positions calculated are 543.152 Gs (s wave, the unit $1 {\rm Gs}=10^{-4} {\rm T}$), 185.109 Gs (p wave $|m_{l}| = 0$), and 185.113 Gs (p wave $|m_{l}| = 1$), respectively. The p-wave FR near 185 Gs exibits a doublet structure of 4 mGs, associated with dipole-dipole interaction. With the increase of the collision energy, it is found that the splitting width remains the same (4 mGs), and that the resonance positions of s and p waves are shifted to higher magnetic fields with the increase of collision energy. The variations of the other quantities including the resonance width and the amplitude of the total scattering section are also discussed in detail. The thermally averaged elastic rate coefficients at $T=10$, 15, 20, 25 K are calculated and compared.     

Quantum coherent effects in multi-Zeeman-sublevel atomic systems

This paper reports the experimental results on electromagnetically induced absorption （EIA） spectra observed in the system which does not satisfy completely the conditions given by Lezama et al [1999 Phys. Rev. A 59 4732]. EIA signals on the transitions in the Cs D2 line are able to be observed, where Fg ←→ Fe = Fg-1 as open systems. Theoretical model of Lezama et al is good for the case Fg ←→ Fc = Fg ＋ 1, considering spontaneous transfer of atomic coherences or populations this model is not able to explain our experimental results obtained in the case Fg ←→ Fe = Fg - 1. This paper offers a theoretical model which is able to well explain the case Fg ←→ Fc = Fg - 1. It also uses this theoretical model to explain the split and shift of EIA peaks, which have been obtained in experiments.