Theoretical study of the structure and analytic potential energy function for the ground state of the PO2 molecule

In this paper, the energy, equilibrium geometry, and harmonic frequency of the ground electronic state of PO2 are computed using the B3LYP, B3P86, CCSD（T）, and QCISD（T） methods in conjunction with the 6-311＋＋G（3df, 3pd） and cc-pVTZ basis sets. A comparison between the computational results and the experimental values indicates that the B3P86/6-311＋＋G（3df, 3pd） method can give better energy calculation results for the PO2 molecule. It is shown that the ground state of the PO2 molecule has C2v symmetry and its ground electronic state is X2A1. The equilibrium parameters of the structure are Rp-o = 0.1465 am, ZOPO = 134.96°, and the dissociation energy is Ed = 19.218 eV. The bent vibrational frequency Ul = 386 cm-1, symmetric stretching frequency v2 = 1095 cm-1, and asymmetric stretching frequency ua = 1333 em-1 are obtained. On the basis of atomic and molecular reaction statics, a reasonable dissociation limit for the ground state of the PO2 molecule is determined. Then the analytic potential energy function of the PO2 molecule is derived using many-body expansion theory. The potential curves correctly reproduce the configurations and the dissociation energy for the PO2 molecule.     

Thermodynamic properties of Heisenberg magnetic systems

In this paper, we present a comprehensive investigation of the effects of the transverse correlation function （TCF） on the thermodynamic properties of Heisenberg antiferromagnetic （AFM） and ferromagnetic （FM） systems with cubic lattices. The TCF of an FM system is positive and increases with temperature, while that of an AFM system is negative and decreases with temperature. The TCF lowers internal energy, entropy and specific heat. It always raises the free energy of an FM system but raises that of an AFM system only above a specific temperature when the spin quantum number is S 〉 1. Comparisons between the effects of the TCFs on the FM and AFM systems are made where possible.     

Quantum correlations in a two-qubit anisotropic Heisenberg XYZ chain with uniform magnetic field

Quantum correlations in an anisotropic Heisenberg XY Z chain is investigated by use of concurrence C and measurement-induced disturbance(MID). We show that the behaviors of the MID are remarkably different from the concurrence. Firstly, it is shown that there is a revival phenomenon in the concurrence but not in the MID, which is suitable for both the ground state case and the finite temperature case. Based on the analysis of the ground-state C and MID structures,we illustrate the reason why the ground-state MID does not show a revival phenomenon in detail. Then we explore different effects of the external and self parameters on entanglement and MID behaviors. It can be shown that the region of MID is evidently larger than the case of concurrence, and that the concurrence signals a quantum phase transition even at finite T while MID does not. Cases where the concurrence finally maintains one nonzero constant value regardless of the value of the variable B for a constant Jz, while MID decreases monotonously to zero with increasing B. We also show that if B can take a proper range of values, the concurrence decreases with the improvement of the anisotropic parameter γ, whereas an opposite effect for MID behaviors is presented.     

Swap of Information between Two-End States in an Open Ferromagnetic Spin Chaint

The bidirectional transfer of information can be realized in an open Heisenberg ferromagnetic spin chain. The information is encoded in the probability distributions of the states at two end spins. The relative entropy is used to evaluate the effective transmission of the probability. The evolution of the relative entropy shows a periodical behavior. The period is increased with increasing the length of the chain and the magnetic field while it decreases with increasing the coupling strength.     

Thermal Quantum Discord in Anisotropic Heisenberg XXZ Model with Dzyaloshinskii-Moriya Interaction

The thermal quantum discord （QD） is studied in a two-qubit Heisenberg XXZ system with DzyaloshinskiiMoriya （DM） interaction. We compare the thermal QD with thermal entanglement in this system and find remarkable differences between them. For instance, we show situations where QD decreases asymptotically to zero with temperature T while entanglement decreases to zero at the point of critical temperature, situations where QD decreases with certain tunable parameters such as Dx and Dx when entanglement increases. We find that the characteristic of QD is exotic in this system and this possibly offers a potential solution to enhance entanglement of a system. We also show that tunable parameter Dx is more efficient than parameter Dz in most regions for controlling the QD.     

Effects of Different Spin-Spin Couplings and Magnetic Fields on Thermal Entanglement in Heisenberg XYZ Chain

The effects of spin-spin interaction on thermed entanglement of a two-qubit Heisenberg XYZ model with different inhomogeneous magnetic fields are investigated. It is shown that the entanglement is dependent on the spin-spin interaction and the inhomogeneous magnetic fields. The larger the Ji （i-axis spin-spin interaction）, the higher critical value the Bi （i-axis uniform magnetic field） has. Moreover, in the weak-field regime, the larger Ji corresponds to more entanglement, while in the strong-field regime, different Ji correspond to the same entanglement. In addition, it is found that with the increase of Ji, the concurrence can approach the maximum value more rapidly for the smaller Bi, and can reach a larger value for the smaller bi （i-axis nonuniform magnetic field）. So we can get more entanglement by increasing the spin-spin interaction Ji, or by decreasing the uniform magnetic field Bi and the nonuniform magnetic field hi.     

Magnetic Properties of One-Dimensional Ferromagnetic Mixed-Spin Model within Tyablikov Decoupling Approximation

In this paper, we apply the two-time Green＇s function method, and provide a simple way to study the magnetic properties of one-dimensional spin-（S, s） Heisenberg ferromagnets. The magnetic susceptibility and correlation functions are obtained by using the Tyablikov decoupling approximation. Our results show that the magnetic susceptibility and correlation length are a monotonically decreasing function of temperature regardless of the mixed spins. It is found that in the case of S = s, our results of one-dimensional mixed-spin model is reduced to be those of the isotropic ferromagnetic Heisenberg chain in the whole temperature region. Our results for the susceptibility are in agreement with those obtained by other theoretical approaches.     

Conductivity reconstruction algorithms and numerical simulations for magneto–acousto–electrical tomography with piston transducer in scan mode

Conductivities tomography with the interactions of magnetic field, electrical field, and ultrasound field is presented in this paper. We utilize a beam of ultrasound in scanning mode instead of the traditional ultrasound field generated by point source. Many formulae for the reconstruction of conductivities are derived from the voltage signals detected by two electrodes arranged somewhere on tissue＇s surface. In a forward problem, the numerical solutions of ultrasound fields generated by the piston transducer are calculated using the angular spectrum method and its Green＇s function is designed approximately in far fields. In an inverse problems, the magneto-acousto-electrical voltage signals are proved to satisfy the wave equations if the voltage signals are extended to the whole region from the boundary locations of transducers. Thus the time-reversal method is applied to reconstructing the curl of the reciprocal current density. In addition, a least square iteration method of recovering conductivities from reciprocal current densities is discussed.     

Wigner Function for Klein-Gordon Landau Problem

First we calculate the Wigner phase-space distribution function for the Klein-Gordan Landau problem on a commmutative space. Then we study the modifications introduced by the coordinate-coordinate noncommuting and momentum-momentum noncommuting, namely, by using a generalized Bopp＇s shift method we construct the Wigner function for the Klein-Gordan Landau problem both on a noncommutative space （NCS） and a noncommutative phase space （NCPS）.     

On Superconductivity State in Pure Graphene

We study theoretically the possibility of superconductivity state in pure graphene within the extended attractive Hubbard model. In the absence of disorder, when we use the local attractive interaction potential, U ≌ 5t, where t is hopping term, pure graphene can be in superconductivity state.     

Fermi surface and quasiparticle excitations of overdoped Tl2Ba2CuO6 + delta

The high-T(c) superconductor Tl(2)Ba(2)CuO(6 + delta) is studied by angle-resolved photoemission spectroscopy. For a very overdoped T(c) = 30 K sample, the Fermi surface consists of a single large hole pocket centered at (pi, pi) and is approaching a topological transition. Although a superconducting gap with d(x(2)-y(2)) symmetry is tentatively identified, the quasiparticle evolution with momentum and binding energy exhibits a marked departure from the behavior observed in under and optimally doped cuprates. The relevance of these findings to scattering, many-body, and quantum-critical phenomena is discussed.     

Studies on RFQ accelerators and its applications

Development activities of Radio Frequency Quadrupole （RFQ） accelerators in China are presented. A 1 MeV O＋ RFQ and a 3.5 MeV ADS proton RFQ have been constructed. A novel separated function RFQ is under beam test, a 2 MeV D＋ RFQ is under construction and a CSNS RFQ is going to be constructed. The RFQ dynamics and the simultaneous dual beam acceleration with positive and negative ions were investigated and related codes were developed. The applications of RFQ will be further promoted in China.     

Function Projective Synchronization of Discrete-Time Chaotic and Hyperchaotic Systems Using Backstepping Method

In this paper, a function projective synchronization scheme is developed to investigate the function projective synchronization between the discrete-time driven chaotic system and the discrete-time response chaotic system. With the aid of symbolic-numeric computation, we use the scheme to study the function projective synchronization between 2D Lorenz discrete-time system and Hdnon discrete-time system, as well as that between 3D discrete-time hyperchaotic system and Henon-like map via three scalar controllers, respectively. Moreover numerical simulations are used to verify the effectiveness of the proposed scheme.     

Antiferromagnetic spin-S chains with exactly dimerized ground states

We show that spin S Heisenberg spin chains with an additional three-body interaction of the form (S(i-1)·S(i))(S(i)·S(i+1))+H.c. possess fully dimerized ground states if the ratio of the three-body interaction to the bilinear one is equal to 1/[4S(S+1)-2]. This result generalizes the Majumdar-Ghosh point of the J1-J2 chain, to which the present model reduces for S=1/2. For S=1, we use the density matrix renormalization group method to show that the transition between the Haldane and the dimerized phases is continuous with a central charge c=3/2. Finally, we show that such a three-body interaction appears naturally in a strong-coupling expansion of the Hubbard model, and we discuss the consequences for the dimerization of actual antiferromagnetic chains.     

A Kind of Atomic Coherent State as a Two-Mode Squeezed State

We find that a kind of atomic coherent state, formed as exp[ ξJ＋-ξJ-]｜00〉,when the SU（2） generators J± are taken as Fan＇s form J＋=（1/2）（α1-α2）（α1-α2）,J-=（1/2）（α1＋α2）（α1＋α2）,and J0=（1/2）（α1α2-α1α2）,is simultaneously a two-mode squeezed state. We analyse this squeezed state＇s physical properites, such as the cross- correlation function, the Wigner function, and its marginal distribution as well as the Husimi function.     

Source function extracted from single-event HBT correlation functions of hydrodynamical sources

We investigate the single-event two-pion correlation functions for the hydrodynamic particle-emitting sources with the fluctuating initial conditions generated by the Heavy Ion Jet Interaction Generator （HIJING）. Using a three-dimension fast Fourier transform （FFT）, we further extract the source functions from the single-event correlation functions. It is found that the inhomogeneity of the hydrodynamic sources with the fluctuating initial conditions lead to event-by-event fluctuations of the correlation functions and source functions.     

The Analytic Solution of SchrSdinger Equation with Potential Function Superposed by Six Terms with Positive-power and Inverse-power Potentials

The analytic solution of the radial Schrodinger equation is studied by using the tight coupling condition of several positive-power and inverse-power potential functions in this article. Furthermore, the precisely analytic solutions and the conditions that decide the existence of analytic solution have been searched when the potential of the radial Schrodinger equation is V（r） =α1r^8 ＋α2r^3 ＋ α3r^2 ＋β3r^-1 ＋β2r^-3 ＋β1r6-4. Generally speaking, there is only an approximate solution, but not analytic solution for SchrSdinger equation with several potentials＇ superposition. However, the conditions that decide the existence of analytic solution have been found and the analytic solution and its energy level structure are obtained for the Schrodinger equation with the potential which is motioned above in this paper. According to the single-value, finite and continuous standard of wave function in a quantum system, the authors firstly solve the asymptotic solution through the radial coordinate r → ∞ and r →0; secondly, they make the asymptotic solutions combining with the series solutions nearby the neighborhood of irregular singularities; and then they compare the power series coefficients, deduce a series of analytic solutions of the stationary state wave function and corresponding energy level structure by tight coupling among the coefficients of potential functions for the radial SchrSdinger equation; and lastly, they discuss the solutions and make conclusions.     

New Exact Periodic Solitary-Wave Solutions for New （2＋1）-Dimensional KdV Equation

The extended homoclinic test function method is a kind of classic, efficient and well-developed method to solve nonlinear evolution equations. In this paper, with the help of this approach, we obtain new exact solutions （including kinky periodic solitary-wave solutions, periodic soliton solutions, and cross kink-wave solutions） for the new （2＋1）-dimensional KdV equation. These results enrich the variety of the dynamics of higher-dimensionai nonlinear wave field.     

Exact Solutions of （2＋1）-Dimensional Boiti-Leon-Pempinelle Equation with （G′/G）-Expansion Method

In this paper, we construct exact solutions for the （2＋1）-dimensional Boiti-Leon-Pempinelle equation by using the （G′/G）-expansion method, and with the help of Maple. As a result, non-travelling wave solutions with three arbitrary functions are obtained including hyperbolic function solutions, trigonometric function solutions, and rational solutions. This method can be applied to other higher-dimensional nonlinear partial differential equations.     

Nonequilibrium work equalities in isolated quantum systems

We briefly introduce the quantum Jarzynski and Bochkov–Kuzovlev equalities in isolated quantum Hamiltonian systems, including their origin, their derivations using a quantum Feynman–Kac formula, the quantum Crooks equality, the evolution equations governing the characteristic functions of the probability density functions for the quantum work, and recent experimental verifications. Some results are given here for the first time. We particularly emphasize the formally structural consistence between these quantum equalities and their classical counterparts, which are useful for understanding the existing equalities and pursuing new fluctuation relations in other complex quantum systems.