A group-theory method to find stationary states in nonlinear discrete symmetry systems

In the field of nonlinear optics, the self-consistency method has been applied to searching optical solitons in different media. In this paper, we generalize this method to other systems, adapting it to discrete symmetry systems by using group theory arguments. The result is a new technique that incorporates symmetry concepts into the iterative procedure of the self-consistency method, that helps the search of symmetric stationary solutions. An efficient implementation of this technique is also presented, which restricts the computational work to a reduced section of the entire domain and is able to find different types of solutions by specifying their symmetry properties. As a practical application, we develop an efficient algorithm for solving the nonlinear Schrödinger equation with a discrete symmetry potential.     

Numerical simulation on the dynamics of photoinduced cooperative phenomena in molecular crystals

We develop a new simulation method to study the dynamics of initial nucleation processes of photoinduced structural change of molecular crystals. In order to describe the nonadiabatic transition in each molecule, we employ a model of localized electrons coupled with a fully quantized phonon mode, and the time-dependent Schrödinger equation for the model is numerically solved. By applying a mean-field approximation in solving the Schrödinger equation, the calculation method is quite efficient on parallel computing systems. We show that coherently driven molecular distortion plays an important role in the successive conversion of electronic states which leads to photoinduced cooperative phenomena.     

Transparent boundary conditions for quantum-waveguide simulations

We consider the two-dimensional, time-dependent Schrödinger equation discretized with the Crank–Nicolson finite difference scheme. For this difference equation we derive discrete transparent boundary conditions (DTBCs) in order to get highly accurate solutions for open boundary problems. We apply inhomogeneous DTBCs to the transient simulation of quantum waveguides with a prescribed electron inflow.     

Derivation of the multisymplectic Crank–Nicolson scheme for the nonlinear Schrödinger equation

The Crank–Nicolson scheme as well as its modified schemes is widely used in numerical simulations for the nonlinear Schrödinger equation. In this paper, we prove the multisymplecticity and symplecticity of this scheme. Firstly, we reconstruct the scheme by the concatenating method and present the corresponding discrete multisymplectic conservation law. Based on the discrete variational principle, we derive a new variational integrator which is equivalent to the Crank–Nicolson scheme. Therefore, we prove the multisymplecticity again from the Lagrangian framework. Symplecticity comes from the proper discrete Hamiltonian structure and symplectic integration in time. We also analyze this scheme on stability and convergence including the discrete mass conservation law. Numerical experiments are presented to verify the efficiency and invariant-preserving property of this scheme. Comparisons with the multisymplectic Preissmann scheme are made to show the superiority of this scheme.     

Application of the Feynman-Kac path integral method in finding excited states of quantum systems

Group theory considerations and properties of a continuous path are used to define a failure tree procedure for finding eigenvalues of the Schrödinger equation using stochastic methods. The procedure is used to calculate the lowest excited state eigenvalues of eigenfunctions possessing anti-symmetric nodal regions in configuration space using the Feynman-Kac path integral method. Within this method the solution of the imaginary time Schrödinger equation is approximated by random walk simulations on a discrete grid constrained only by symmetry considerations of the Hamiltonian. The required symmetry constraints on random walk simulations are associated with a given irreducible representation and are found by identifying the eigenvalues for the irreducible representation corresponding to symmetric or antisymmetric eigenfunctions for each group operator. The method provides exact eigenvalues of excited states in the limit of infinitesimal step size and infinite time. The numerical method is applied to compute the eigenvalues of the lowest excited states of the hydrogenic atom that transform as Γ² and Γ⁴ irreducible representations. Numerical results are compared with exact analytical results.     

Time-splitting pseudo-spectral domain decomposition method for the soliton solutions of the one- and multi-dimensional nonlinear Schrödinger equations

In this paper, we study the simulation of nonlinear Schrödinger equation in one, two and three dimensions. The proposed method is based on a time-splitting method that decomposes the original problem into two parts, a linear equation and a nonlinear equation. The linear equation in one dimension is approximated with the Chebyshev pseudo-spectral collocation method in space variable and the Crank–Nicolson method in time; while the nonlinear equation with constant coefficients can be solved exactly. As the goal of the present paper is to study the nonlinear Schrödinger equation in the large finite domain, we propose a domain decomposition method. In comparison with the single-domain, the multi-domain methods can produce a sparse differentiation matrix with fewer memory space and less computations. In this study, we choose an overlapping multi-domain scheme. By applying the alternating direction implicit technique, we extend this efficient method to solve the nonlinear Schrödinger equation both in two and three dimensions, while for the solution at each time step, it only needs to solve a sequence of linear partial differential equations in one dimension, respectively. Several examples for one- and multi-dimensional nonlinear Schrödinger equations are presented to demonstrate high accuracy and capability of the proposed method. Some numerical experiments are reported which show that this scheme preserves the conservation laws of charge and energy.     

Computational methods for the dynamics of the nonlinear Schrödinger/Gross–Pitaevskii equations

In this paper, we begin with the nonlinear Schrödinger/Gross–Pitaevskii equation (NLSE/GPE) for modeling Bose–Einstein condensation (BEC) and nonlinear optics as well as other applications, and discuss their dynamical properties ranging from time reversible, time transverse invariant, mass and energy conservation, and dispersion relation to soliton solutions. Then, we review and compare different numerical methods for solving the NLSE/GPE including finite difference time domain methods and time-splitting spectral method, and discuss different absorbing boundary conditions. In addition, these numerical methods are extended to the NLSE/GPE with damping terms and/or an angular momentum rotation term as well as coupled NLSEs/GPEs. Finally, applications to simulate a quantized vortex lattice dynamics in a rotating BEC are reported.     

Parallel Split-Step Fourier Methods for the Coupled Nonlinear Schrödinger Type Equations

The nonlinear Schrödinger type equations are of tremendous interest in both theory and applications. Various regimes of pulse propagation in optical fibers are modeled by some form of the nonlinear Schrödinger equation.In this paper we introduce parallel split-step Fourier methods for the numerical simulations of the coupled nonlinear Schrödinger equation that describes the propagation of two orthogonally polarized pulses in a monomode birefringent fibers. These methods are implemented on the Origin 2000 multiprocessor computer. Our numerical experiments have shown that these methods give accurate results and considerable speedup.     

Three-dimensional quantum simulation of multigate nanowire field effect transistors

Detailed numerical methods for the three-dimensional quantum simulation of the multigate nanowire field effect transistors in the ballistic transport regime are presented in this work. The device has been modeled based on the effective mass theory and the non-equilibrium Green’s function formalism, and its simulation consists of solutions of the three-dimensional Poisson’s equation, two-dimensional Schrödinger equations on the cross-sectional planes, and one-dimensional transport equation. Details on numerical techniques for each of the simulation steps are described, with a special attention to the solution of the most CPU demanding two-dimensional Schrödinger equation.     

Extended nonlinear waves in multidimensional dynamical lattices

We explore spatially extended dynamical states in the discrete nonlinear Schrödinger lattice in two- and three-dimensions, starting from the anti-continuum limit. We first consider the “core” of the relevant states (either a two-dimensional “tile” or a three-dimensional “stone”), and examine its stability analytically. The predictions are corroborated by numerical results. When the core is stable, we propose a method allowing the extension of the structure to as many sites as may be desired. In this way, various patterns of excited sites can be formed. The stability of the full extended nonlinear structures is studied numerically, which yields instability thresholds for such structures, which are attained with the increase of the lattice coupling constant. Finally, in cases of instability, direct numerical simulations are used to elucidate the evolution of the pattern; it is found that, typically, the unstable extended nonlinear pattern breaks up in an oscillatory way, leading to “lattice turbulence”.     

Multi-symplectic wavelet collocation method for the nonlinear Schrödinger equation and the Camassa–Holm equation

In this paper, we develop a novel multi-symplectic wavelet collocation method for solving multi-symplectic Hamiltonian system with periodic boundary conditions. Based on the autocorrelation function of Daubechies scaling functions, collocation method is conducted for the spatial discretization. The obtained semi-discrete system is proved to have semi-discrete multi-symplectic conservation laws and semi-discrete energy conservation laws. Then, appropriate symplectic scheme is applied for time integration, which leads to full-discrete multi-symplectic conservation laws. Numerical experiments for the nonlinear Schrödinger equation and Camassa–Holm equation show the high accuracy, effectiveness and good conservation properties of the proposed method.     

Solitary wave solutions for a higher order nonlinear Schrödinger equation

We consider a higher order nonlinear Schrödinger equation with third- and fourth-order dispersions, cubic–quintic nonlinearities, self steepening, and self-frequency shift effects. This model governs the propagation of femtosecond light pulses in optical fibers. In this paper, we investigate general analytic solitary wave solutions and derive explicit bright and dark solitons for the considered model. The derived analytical dark and bright wave solutions are expressed in terms of the model coefficients. These exact solutions are useful to understand the mechanism of the complicated nonlinear physical phenomena which are related to wave propagation in a higher-order nonlinear and dispersive Schrödinger system.     

Nonlinear stability,excitation and soliton solutions in electrified dispersive systems

A weakly nonlinear theory of wave propagation in two superposed dielectric fluids in the presence of a horizontal electric field is investigated in (2+1)-dimensions. The equation governing the evolution of the amplitude of the progressive waves is obtained in the form of a two-dimensional nonlinear Schrödinger equation. A three-wave resonant interaction for nonlinear excitations created from electrohydrodynamic capillary-gravity waves is observed to be possible in a dispersive medium with a self-focusing cubic nonlinearity. Under suitable conditions, the nonlinear envelope equations for the resonant interaction are derived by using multiple scales and inverse scattering methods, and an explicit three-wave soliton solution is discussed. Both the dynamic properties and the modulational instability of finite amplitude electrohydrodynamic wave are studied for the cubic nonlinear Schrödinger equation by means of linearized stability analysis and the nonlinear interaction coefficient. We show that the trajectories in phase space exhibit different behavior with the increase of nonlinear perturbations, and we determine the electric field and wavenumber ranges at which the original point is elliptic or hyperbolic, respectively. It is found also that the presence of the electric field in the equation modifies the nature of wave stability and soliton structures, and that the amplitude and width of the soliton are decreased and increased, respectively, when the electric field value increases.     

P-stability, Trigonometric-fitting and the numerical solution of the radial Schrödinger equation

In this paper we will study the importance of the properties of P-stability and Trigonometric-fitting for the numerical integration of the one-dimensional Schrödinger equation. This will be done via the error analysis and the application of the studied methods to the numerical solution of the radial Schrödinger equation.     

Quasilinearization approach to quantum mechanics

The quasilinearization method (QLM) of solving nonlinear differential equations is applied to the quantum mechanics by casting the Schrödinger equation in the nonlinear Riccati form. The method, whose mathematical basis in physics was discussed recently by one of the present authors (VBM), approaches the solution of a nonlinear differential equation by approximating the nonlinear terms by a sequence of the linear ones, and is not based on the existence of some kind of a small parameter. It is shown that the quasilinearization method gives excellent results when applied to computation of ground and excited bound state energies and wave functions for a variety of the potentials in quantum mechanics most of which are not treatable with the help of the perturbation theory or the 1/N expansion scheme. The convergence of the QLM expansion of both energies and wave functions for all states is very fast and already the first few iterations yield extremely precise results. The precision of the wave function is typically only one digit inferior to that of the energy. In addition it is verified that the QLM approximations, unlike the asymptotic series in the perturbation theory and the 1/N expansions are not divergent at higher orders.     

Efficient numerical method for linear stability analysis of solitary waves

In this paper we use a numerical relaxation algorithm to improve and generalize the obtainment of the perturbation eigenstates of nonlinear systems. As a model problem we consider the linear stability analysis of the vortex eigenstates of the cubic–quintic nonlinear Schrödinger equation. It is shown by numerical calculations that the relaxation algorithm permits accurate tracing of complex perturbation eigenvalues.     

Numerical exploration of vortex matter in Bose–Einstein condensates

We describe a finite element numerical approach to the full Hartree-Fock-Bogoliubov treatment of a vortex lattice in a rapidly rotating Bose–Einstein condensate. We study the system in the regime of high thermal or significant quantum fluctuations where we are presented with a very large nonlinear unsymmetric eigenvalue problem which is indefinite and which possesses low-lying excitations clustered arbitrarily close to zero, a problem that requires state-of-the-art numerical techniques.     

A semi-explicit multi-symplectic splitting scheme for a 3-coupled nonlinear Schrödinger equation

In this paper, we mainly propose an efficient semi-explicit multi-symplectic splitting scheme to solve a 3-coupled nonlinear Schrödinger (3-CNLS) equation. Based on its multi-symplectic formulation, the 3-CNLS equation can be split into one linear multi-symplectic subsystem and one nonlinear infinite-dimensional Hamiltonian subsystem. For the linear subsystem, the multi-symplectic Fourier pseudospectral method and symplectic Euler method are employed in spatial and temporal discretizations, respectively. For the nonlinear subsystem, the mid-point symplectic scheme is used. Numerical experiments for the unstable plane waves show the effectiveness of the proposed method during long-time numerical calculation.     

Finite difference approach for the two-dimensional Schrödinger equation with application to scission-neutron emission

We present a grid-based procedure to solve the eigenvalue problem for the two-dimensional Schrödinger equation in cylindrical coordinates. The Hamiltonian is discretized by using adapted finite difference approximations of the derivatives and this leads to an algebraic eigenvalue problem with a large (sparse) matrix, which is solved by the method of Arnoldi. By this procedure the single particle eigenstates of nuclear systems with arbitrary deformations can be obtained. As an application we have considered the emission of scission neutrons from fissioning nuclei.     

Application of coordinate transformation and finite differences method in numerical modeling of quantum dash band structure

In this paper we propose an efficient and simple method for the band structure calculation of semiconductor quantum dashes. The method combines a coordinate transformation (mapping) based on an analytical function and the finite differences method (FDM) for solving the single-band Schrödinger equation. We explore suitable coordinate transformations and propose those, which might simultaneously provide a satisfactory fit of the quantum dash heterointerface and creation of an appropriate computational domain which encloses the quantum dash structure. After mapping of the quantum dash and the rest of computational domain, the Schrödinger equation is solved by the FDM in the mapped space. For the proposed coordinate transformations, we investigate and analyze applicability, robustness and convergence of the method by varying the FDM grid density and size of the computational domain. We find that the method provides sufficient accuracy, stability and flexibility with respect to the size and shape of the quantum dash and above all, extreme simplicity, which is promising and essential for an extension of the method to the multiband Schrödinger equation case.