Projection of the uhf ground state wave function of the high-conductivity 1 ∶ 1 TCNQ salts

The unrestricted Hartree-Fock ground state wave function of a TCNQ salt with one electron per molecule and with the regular one-dimensional lattice of the TCNQ molecules is decomposed into states with sharp values of the total momentum of the electronic system. The properties of the components are discussed and the relation of the results to the double periodicity of the well known spin wave spectrum is emphasized.     

Scattered wave packet formalism with markovian outgoing wave boundary conditions for open quantum systems

The scattered wave formalism is developed for a quantum subsystem interacting with the external environment through open boundaries. The total wave function is divided into incident and scattered components and Markovian outgoing wave boundary conditions are applied to the scattered wave function. This formalism significantly reduces the computational effort relative to other methods which rely on Green functions and memory kernels. The method is applied to one-dimensional barrier scattering and to a three-dimensional model for the field effect transistor.     

Quantum Solitary Wave Solutions in a Ferromagnetic Chain with Nearest- and Next-Nearest-Neighbor Interaction

The quantum solitary wave solutions in a one-dimensional ferromagnetic chain is investigated by using the Hartree-Fock approach and the multiple-scale method. It is shown that quantum solitary wave solutions can exist in a ferromagnetic system with nearest- and next-nearest-neighbor exchange interaction, and at the certain value of the first Brillouin zone, the solitary wave solution of the Hartree wave function becomes the intrinsic localized mode.     

一维受迫谐振子量子运动的经典特性

对经典一维受迫谐振子量子化,求解量子化后体系的时间演化算符.应用相空间准概率分布函数,研究了体系的量子特性.研究结果表明,初始为真空态,经过时间演化,系统波函数是一个二维高斯波包;波包中心的振幅和相位受到作用力的调制,成为调幅、调相波,波包中心的运动与经典受迫谐振子的运动形式相同.     

应用于量子含时波包方法的高精度透明边界条件

本文提出了一种适用于量子含时波包方法的透明边界条件. 该量子含时波包方法结合分离变量表象方法使用的时候,本质上是具有谱收敛性质的. 相对于以往的复数吸收势,该透明边界条件的突出优点是其对于波函数的能谱分布并不敏感. 采用具有共振态的一维势垒散射模型,本文对该方法的特点做了阐述.     

一般幂指数中心势作用下的波包回归和部分回归

利用WKB近似和自关联函数方法,我们研究了一般幂指数中心势V(r)=γrk (-20)作用下波包的回归和部分回归.对于排斥势(γ>0, k>0), 势是一长程势,量子化能级结构中只有一个量子数,波包的回归结构和一维幂指数势的情况类似.这一结果表明能级结构相同的体系具有相同的波包回归结构.对于吸引势,能级结构中有两个量子数, 当 k取不同的值时,波包的回归结构不同.对于库仑吸引势,波包回归和部分回归出现;但是对于其它的k值, 经过一段时间后,波包出现坍塌.本文的研究对于探讨里德堡原子和分子中电子运动的经典极限提供了一个新的方法.     

一般幂指数中心势作用下的波包回归和部分回归

利用WKB近似和自关联函数方法,我们研究了一般幂指数中心势V(r)=rk (-20)作用下波包的回归和部分回归。对于排斥势(>0, k>0), 势是一长程势,量子化能级结构中只有一个量子数,波包的回归结构和一维幂指数势的情况类似。这一结果表明能级结构相同的体系具有相同的波包回归结构。 对于吸引势,能级结构中有两个量子数, 当 k取不同的值时,波包的回归结构不同。对于库仑吸引势,波包回归和部分回归出现; 但是对于其它的k值, 经过一段时间后,波包出现坍塌。本文的研究对于探讨里德堡原子和分子中电子运动的经典极限提供了一个新的方法。     

A Green's function method for surface acoustic waves in functionally graded materials

Acoustic wave propagation in anisotropic media with one-dimensional inhomogeneity is discussed. Using a Green's function approach, the wave equation with inhomogeneous variation of elastic property and mass density is transformed into an integral equation, which is then solved numerically. The method is applied to find the dispersion relation of surface acoustic waves for a medium with continuously or discontinuously varying elastic property and mass density profiles.     

Floquet-bloch waves in bound one-dimensional photonic crystals

Floquet-Bloch waves in a bound one-dimensional photonic crystal are considered. It is shown that a single Floquet-Bloch wave can be excited in a one-dimensional photonic crystal located between two homogeneous media. An exact solution of the wave equation corresponding to this case is represented in the form of a set of heterogeneous waves. For the case of incidence of the plane wave from a homogeneous medium on a bounded one-dimensional photonic crystal, the functions for the reflection and transmission coefficients are obtained based on the exact solution of the wave equation. It is shown that the transmission function for the one-dimensional photonic crystal has a form similar to that for the traditional Fabri-Perot interferometer and is determined by the interference of the Floquet-Bloch waves excited in the crystal. The evolution of the amplitude profile of the decaying Floquet-Bloch waves and the reflection spectrum of the bounded one-dimensional photonic crystal are considered in the first-order forbidden band.     

Quantum dynamics of charge transfer on the one-dimensional lattice:Wave packet spreading and recurrence

The wave function temporal evolution on the one-dimensional(1D) lattice is considered in the tight-binding approximation. The lattice consists of N equal sites and one impurity site(donor). The donor differs from other lattice sites by the on-site electron energy E and the intersite coupling C. The moving wave packet is formed from the wave function initially localized on the donor. The exact solution for the wave packet velocity and the shape is derived at different values E and C. The velocity has the maximal possible group velocity v = 2. The wave packet width grows with time ～ t1/3and its amplitude decreases ～ t-1/3. The wave packet reflects multiply from the lattice ends. Analytical expressions for the wave packet front propagation and recurrence are in good agreement with numeric simulations.     

一维超声光子晶体禁带结构分析

超声波在介质中传播时可以引起介质的折射率发生周期变化,当光波垂直于超声波的传播方向时,这种介质可以被用来作为光栅使用,称为超声光栅。当光波沿超声波的传播方向通过这种介质时,它还可以用作一维光子晶体,并称其为一维超声光子晶体(1D-USPC)。利用平面波法证明了一维超声光子晶体具有一般一维周期层叠结构光子晶体的禁带特征。同时这种光子禁带是可以通过超声波的波长和振幅来改变的,这就为控制光的行为方面提供另一种新的方法。     

一维光子晶体结构参数对禁带带隙的影响研究

采用平面波法(PWM)计算一维光子晶体的带隙结构。分别就构造一维光子晶体结构的高低折射膜层的介电常数及填充比(高折射膜层的厚度与晶体周期长度的比值)对禁带带隙宽度的影响作出分析。通过最小二乘曲线和曲面拟合得到带宽与介电常数或带宽与填充比的函数关系图，以确定最佳的禁带带宽，从而设计一维光子晶体的周期结构。对高低折射膜层为GaAs/空气组成的一维光子晶体，介电常数比约为13/1，当填充比为0.16时，计算得禁带带宽为0.2564×2πc/Λ，禁带的中心频率为0.3478×2πc/Λ，与实验数据吻合。     

A general method for the solution of nonlinear soliton and kink Schrödinger equations

We present a method by which one-dimensional nonlinear soliton and kink Schrödinger equations can be solved in closed form. The hermitean nonlinear soliton operator may contain up to second derivatives of the wave function and the vanishing condition must hold. The method is applied to solve known nonlinear Schrödinger equations for one-soliton and one-kink solutions and, by inverting the procedure, to derive new operators with wave packet solutions of algebraic and arbitrary shapes. One of them is equivalent to the Derivative Nonlinear Schrödinger equation.     

Comparison of variational approaches for the exactly solvable 1/r-Hubbard chain

We study Hartree-Fock, Gutzwiller, Baeriswyl, and combined Gutzwiller-Baeriswyl wave functions for the exactly solvable one-dimensional 1/r-Hubbard model. We find that none of these variational wave functions is able to correctly reproduce the physics of the metal-to-insulator transition which occurs in the model for halffilled bands when the interaction strength equals the bandwidth. The many-particle problem to calculate the variational ground state energy for the Baeriswyl and combined Gutzwiller-Baeriswyl wave function is exactly solved for the 1/r-Hubbard model. The latter wave function becomes exact both for small and large interaction strength, but it incorrectly predicts the metal-to-insulator transition to happen at infinitely strong interactions. It is thus seen that neither Hartree-Fock nor an energetically excellent Jastrow-type wave function yield a reliable prediction on the zero temperature phase transition in the one-dimensional 1/r-Hubbard chain.     

Study of superluminal-pulse propagation in one-dimensional photonic crystals by the FDTD method

We study the pulse propagation in a one-dimensional photonic crystal using the finite-difference time-domain method. The wave propagation inside the crystal is the result of superposition of forward and backward waves. We observed the superluminal phenomena and negative values of the velocity of the energy-density maximum. The energy velocities within the crystal never exceed the speed of light in vacuum. We hope that our study contributes to a further understanding of the superluminal phenomena.     

Investigation of a silicon-based one-dimensional phononic crystal plate via the super-cell plane wave expansion method

The super-cell plane wave expansion method is employed to calculate band structures for the design of a silicon-based one-dimensional phononic crystal plate with large absolute forbidden bands. In this method, a low impedance medium is introduced to replace the free stress boundary, which largely reduces the computational complexity. The dependence of band gaps on structural parameters is investigated in detail. To prove the validity of the super-cell plane wave expansion, the transmitted power spectra of the Lamb wave are calculated by using a finite element method. With the detailed computation, the band-gap of a one-dimensional plate can be designed as required with appropriate structural parameters, which provides a guide to the fabrication of a Lamb wave phononic crystal.     

Hartree-Fock approximation for the one-dimensional electron gas

The Hartree-Fock calculation on the one-dimensional electron gas is done on the basis of the method analogous to that applied by Bloch and Wigner and Seitz for the three-dimensional gas. The boundary conditions of the standing wave are taken for the wave function and the bare Coulomb interaction between electrons is assumed. The parameterr _s of the three-dimensional gas is replaced by the ratio between the cross-section radius and the length of the potential tube filled by the one-dimensional gas. Excepting for a special case of the excitement of an electron pair put on one electron level the excitation energies of the non-magnetic gas are found to be very much higher than these of the ferromagnetic gas. A similar relation holds between the ground state energies of the non-magnetic and magnetic gases.     

Investigation of the linear and nonlinear properties of a Drude model photonic crystal

The optical transmission properties of a one-dimensional Drude model photonic crystal are investigated. The linear wave propagation is studied by the transfer matrix method. Using a delta-function approximation a nonlinear 2-d map is obtained and used to explore the global transmission properties of nonlinear wave propagation in this system. Inclusion of a frequency-dependent refractive index represented by the Drude model results in a considerable modification of the characteristics of the linear and nonlinear wave propagation of the one-dimensional photonic crystal.     

Improvement of variational approach in an interacting two-fermion system

A more reasonable trial ground state wave function is constructed for the relative motion of an interacting two-fermion system in a one-dimensional(1D) harmonic potential. At the boundaries both the wave function and its first derivative are continuous and the quasi-momentum is determined by a more practical constraint condition which associates two variational parameters. The upper bound of the ground state energy is obtained by applying the variational principle to the expectation value of the Hamiltonian of relative motion on the trial wave function. The resulted energy and wave function show better agreement with the analytical solution than the original proposal.     

具有格点各向异性的一维铁磁链中的量子孤子和内禀局域模(英文)

基于Hartree-Fock方法和多标度方法,我们考察了具有格点各向异性的一维铁磁链中的量子孤子和内禀局域模,量子磁振子的波函数由量子包络孤子来描述.在布里渊区边界,量子包络孤子变成了量子内禀局域模,它的量子本征频率在简谐波带的顶部上方,量子磁振子主要集中在中心位置j=j0的附近.