B-Spline with Symplectic Algorithm Method for Solution of Time-Dependent Schrodinger Equations

A B-spline with the symplectic algorithm method for the solution of time-dependent Schrodinger equations （TDSEs） is introduced. The spatial part of the wavefunction is expanded by B-spline and the time evolution is given in a symplectic scheme. This method allows us to obtain a highly accurate and stable solution of TDSEs. The effectiveness and efficiency of this method is demonstrated by the high-order harmonic spectra of one-dimensional atoms in comparison with other references.     

Total Field and Scattered Field Technique for Fourth-Order Symplectic Finite Difference Time Domain Method

Using symplectic integrator propagator, a three-dimensional fourth-order symplectic finite difference time domain （SFDTD） method is studied, which is of the fourth order in both the time and space domains. The method is nondissipative and can save more memory compared with the traditional FDTD method. The total field and scattered field （TF-SF） technique is derived for the SFDTD method to provide the incident wave source conditions. The bistatic radar cross section （RCS） of a dielectric sphere is computed by using the SFDTD method for the first time. Numerical results suggest that the SFDTD algorithm acquires better stability and accuracy compared with the traditional FDTD method.     

The stress field and energy of screw dislocation in smectic A liquid crystals and the mistakes of the classical solution

The mistakes in the classical solution of a screw dislocation in smectic A liquid crystals are pointed out. A serious problem with the well-known theory is pointed, which may be named de Gennes-Kleman-Pershan paradox and has existed for many decades in the scientific community of liquid crystal study. The correct solution is given in this paper by a simplest, elementary, and straight forward method. In connection with this, the stress field and energy of dislocation are discussed in detail. The present article provides the correct stress field and dislocation energy as well.     

Ionization of Atoms and the Thomas－Fermi Model for the Electric Field in Crystal Planar Channels

The electric field in the crystal planar channels is studied by the Thomas-Fermi method.The ThomasFermi equation and the corresponding boundary conditions are derived for the crystal palanar channels,The numerical solution for the elctric field in the channels between(110) Planes of the single crystal silicaon and the critical angles of channelling protons in them are shown.Reasonable agreements with the experimental data are obtained.The results show that the Thomas-Fermi method for the crystal works well in this study,and a microscopic research of the channel electric field with the contribution of all atoms and the atomic ionization being taken into account is practical.     

THEORETICAL ANALYSIS OF SCATTERING OF ULTRASONIC PULSES BY RIBBON-TYPE CRACKS IN SOLID——GENERAL SOLUTION

Scattering of elastic waves by obstacles of various shapes,especially those having sharp edges,is an important problem in NDE.The problem of scattering of a plane longitudinal or SV ultrasonicpulse in a solid,by a crack of finite width with free faces,is investigated in this paper by applyingdouble Laplace transforms and the generalized Wiener-Hopf technque.A solution in the Laplacedomain is obtained.An approximate form of this solution is then formulated neglecting the higher-order multiple scatterings,which can be inverted by the Cagniard-de Hoop method.The approximatesolution in the time-space domain gives the major features of scattering in the early time and henceof the near field.The result is readily shown in pictorial form. We have experimentally studied the corresponding scattered field in glass by the use of the photo-elastic visualizing technique,but the results are not included here,except for one photoelastic picturefor illustration.     

Numerical experiment of anharmonic oscillators by using the symplectic scheme-shooting method

Symplectic scheme-shooting method (SSSM) is applied to solve the energy eigenvalues of anharmonic oscillators characterized by the potentials V(x)=λx4 and V(x)=(1/2)x2+λx2α with α=2,3,4 and doubly anharmonic oscillators characterized by the potentials V(x)=(1/2)x2+λ1x4+λ2x6, and a high order symplectic scheme tailored to the "time"-dependent Hamiltonian function is presented. The numerical results illustrate that the energy eigenvalues of anharmonic oscillators with the symplectic scheme-shooting method are in good agreement with the numerical accurate ones obtained from the non-perturbative method by using an appropriately scaled basis for the expansion of each eigenfunction; and the energy eigenvalues of doubly anharmonic oscillators with the sympolectic scheme-shooting method are in good agreement with the exact ones and are better than the results obtained from the four-term asymptotic series. Therefore, the symplectic scheme-shooting method, which is very simple and is easy to grasp, is a good numerical algorithm.     

Three-dimensional MHD flow over a shrinking sheet: Analytical solution and stability analysis

The magnetohydrodynamic(MHD) steady and unsteady axisymmetric flows of a viscous fluid over a two-dimensional shrinking sheet are addressed. The mathematical analysis is carried out in the presence of a large magnetic field. The steady state problem results in a singular perturbation problem having an infinite domain singularity. The secular term appearing in the solution is removed and a two-term uniformly valid solution is derived using the Lindstedt–Poincaré technique. This asymptotic solution is validated by comparing it with the numerical solution. The solution for the unsteady problem is also presented analytically in the asymptotic limit of large magnetic field. The results of velocity profile and skin friction are shown graphically to explore the physical features of the flow field. The stability analysis of the unsteady flow is made to validate the asymptotic solution.     

Direct numerical simulation methods of hypersonic flat-plate boundary layer in thermally perfect gas

High-temperature effects alter the physical and transport properties of air such as vibrational excitation in a thermally perfect gas,and this factor should be considered in order to compute the flow field correctly.Herein,for the thermally perfect gas,a simple method of direct numerical simulation on flat-plat boundary layer is put forward,using the equivalent specific heat ratio instead of constant specific heat ratio in the N-S equations and flux splitting form of a calorically perfect gas.The results calculated by the new method are consistent with that by solving the N-S equations of a thermally perfect gas directly.The mean flow has the similarity,and consistent to the corresponding Blasius solution,which confirms that satisfactory results can be obtained basing on the Blasius solution as the mean flow directly in stability analysis.The amplitude growth curve of small disturbance is introduced at the inlet by using direct numerical simulation,which is consistent with that obtained by linear stability theory.It verified that the equation established and the simulation method is correct.     

Sodium atom in strong magnetic fields：a pseudospectral approach

Energies and wavefunctions of low-lying states and Rydberg states for the sodium atom in uniform magnetic fields varying from 0 to 10^5T are calculated using a pseudospectral approach with a model potential in spherical coordinates. The energies are comparable with experimental results as well as those obtained by other calculations. The spectra of oscillator strength are worked out. The evolution of them with the magnetic field is shown.     

Symplectic Schemes and the Shooting Method for Eigenvalues of the Schrodinger Equation

The one-dimensional time-independent Schr6dinger equation is transformed into a Hamiltonian canonical equation by means of the Legendre transformation, then the symplectic schemes and a new shooting method extended to the eigenvalues of the Schr6dinger equation. The method is applied to the calculations of one-dimensional harmonic oscillator, an anharmonic oscillator and the hydrogen atom. The numerical results are in good agreement with the exact ones.     

数值研究二维含时薛定谔方程

采用二维渐近边界条件,将任意极化激光与原子相互作用的二维含时Schr(o)dinger方程无穷空间初值问题转化为有界空间的初边值问题,近而将截断后的初边值问题离散成线性正则方程组,而后利用辛算法求解正则方程得到含时波函数.最后利用含时波函数求得高次谐波谱,证明二维渐近边界条件和辛算法是合理而有效的.     

激光与二维多势阱系统相互作用下的谐波发射

采用二维渐近边界条件和辛算法数值求解了激光和二维多势阱系统互作用的二维含时Schrödinger方程的无穷空间初值问题。计算了二维多势阱系统分别在线偏振激光和圆偏振激光作用下的谐波发射,得到不同模型发射谐波谱的特点,说明多势阱环境有利于高次谐波的发射。     

Symplectic And Multisymplectic Fourier Pseudospectral Discretizations for the Klein–Gordon Equation

We present symplectic and multisymplectic formulations of the Klein-Gordon equation in this paper. Based on these two formulations, we investigate the corresponding symplectic and multisymplectic Fourier pseudospectral discretizations. The relationship between these two kinds of Fourier pseudospectral discretizations is discussed. Time discretizations are also presented.     

一维强场模型研究中的非齐线性正则方程的辛算法

就一维强场模型,采用对称差商代替空间变量的2阶偏导数,将含有SchrÖdinger方程的初边值问题离散成"非齐线性正则方程",它的齐方程的通解和非齐方程特解都由"辛变换生成",分别采用辛格式计算.采用这种辛算法和R-K法计算了一个数值例子,并与精确解作了比较.结果表明,经长时间计算后,辛算法保持解的固有特征,而R-K法则面目全非.     

双色场中高次谐波转化效率提高的数值研究

采用渐近边界条件和辛算法数值求解了双色激光场分别与模型Pschl-Teller势和模型He⁺相互作用的含时Schrdinger方程的无穷空间初值问题,计算了电离概率、电子平均位移、高次谐波与跃迁概率;数值结果显示,添加适当的倍频光的双色激光场使高次谐波转化效率极大提高,并给出定性与定量分析. 关键词： 辛算法 双色激光场 高次谐波 定量分析     

Carrier-envelope phase measurement using plasmonic-field-enhanced high-order harmonic generation of H atom in few-cycle laser pulses

We investigate the plasmonic-field-enhanced high-order harmonic generation (HHG) of H atom driven by few-cycle laser pulses, by solving the time-dependent Schrödinger equation (TDSE). Compared with the homogeneous field, HHG spectra generated by inhomogeneous field exhibit two-plateau structure. We analyze the origin of the two plateaus by using the semiclassical trajectory method. Our results from both classical and TDSE simulations show that the cutoffs of the two plateaus are dramatically affected by the carrier-envelope phase (CEP) of laser pulse in the inhomogeneous field, even for a little longer pulse. Thus, we can determine the CEP of driving laser based on the cutoff position of HHG generated in the inhomogeneous field.     

射线追踪、辛几何算法与波场的数值模拟

论述了射线追踪、辛几何算法与波场的数值模拟之间的关系,说明了辛几何算法长时间守恒性质及运用辛几何算法进行射线追踪的必要性.对线性层状模型,利用辛几何算法和Maslov渐近理论对波场进行了数值模拟,并与解析解进行了比较.     

Multiphoton and tunneling ionization of atoms in an intense laser field

We study the ionization probabilities of atoms by a short laser pulse with three different theoretical methods,i.e.,the numerical solution of the time-dependent Schro¨dinger equation(TDSE),the Perelomov-Popov-Terent’ev(PPT) theory,and the Ammosov-Delone-Krainov(ADK) theory.Our results show that laser intensity dependent ionization probabilities of several atoms(i.e.,H,He,and Ne) obtained from the PPT theory accord quite well with the TDSE results both in the multiphoton and tunneling ionization regimes,while the ADK results fit well to the TDSE data only in the tunneling ionization regime.Our calculations also show that laser intensity dependent ionization probabilities of a H atom at three different laser wavelengths of 600 nm,800 nm,and 1200 nm obtained from the PPT theory are also in good agreement with those from the TDSE,while the ADK theory fails to give the wavelength dependence of ionization probability.Only when the laser wavelength is long enough,will the results of ADK be close to those of TDSE.     

Scaling of wave-packet dynamics in an intense midinfrared field

A theoretical investigation is presented that examines the wavelength scaling from near-visible (0.8 micro m) to midinfrared (2 micro m) of the photoelectron distribution and high harmonics generated by a "single" atom in an intense electromagnetic field. The calculations use a numerical solution of the time-dependent Schr?dinger equation (TDSE) in argon and the strong-field approximation in helium. The scaling of electron energies (lambda2), harmonic cutoff (lambda2), and attochirp (lambda -1) agree with classical mechanics, but it is found that, surprisingly, the harmonic yield follows a lambda -(5-6) scaling at constant intensity. In addition, the TDSE results reveal an unexpected contribution from higher-order returns of the rescattering electron wave packet.     

Multisymplectic Pseudospectral Discretizations for (3+1)-Dimensional Klein-Gordon Equation

We explore the multisymplectic Fourier pseudospectral discretizations for the (3+1)-dimensional Klein-Gordon equation in this paper. The corresponding multisymplectic conservation laws are derived. Two kinds of explicit symplectic integrators in time are also presented.