Essentially Symplectic Boundary Value Methods for Linear Hamiltonian Systems

1.IlltroductiollInmanyareasofphysics,mechanics,etc.,HamiltoniansystemsofODEsplayaveryimportantrole.Suchsystemshavethefollowinggeneralform:where,bydenotingwithOfandimthenullmatrixandtheidentitymatrixofordermarespectively,SimplepropertiesofthematrixJZmarethefollowingones:Inequation(1)AH(~,t)isthegradientofascalarfunctionH(y,t),usuallycalledHamiltonian.InthecasewhereH(y,t)=H(y),thenthevalueofthisfunctionremainsconstantalongt.hesollltion7/(t),t,hatis'*ReceivedFebruaryI3,1995.l)Worksupporte…     

The rate of error growth in Hamiltonian-conserving integrators

In this note, we consider numerical methods for a class of Hamiltonian systems that preserve the Hamiltonian. We show that the rate of growth of error is at most linear in time when such methods are applied to problems with period uniquely determined by the value of the Hamiltonian. This contrasts to generic numerical schemes, for which the rate of error growth is superlinear. Asymptotically, the rate of error growth for symplectic schemes is also linear. Hence, Hamiltonian-conserving schemes are competitive with symplectic schemes in this respect. The theory is illustrated with a computation performed on Kepler's problem for the interaction of two bodies.     

A long-term numerical energy-preserving analysis of symmetric and/or symplectic extended RKN integrators for efficiently solving highly oscillatory Hamiltonian systems

This paper presents a long-term analysis of one-stage extended Runge–Kutta–Nyström (ERKN) integrators for highly oscillatory Hamiltonian systems. We study the long-time numerical energy conservation not only for symmetric integrators but also for symplectic integrators. In the analysis, we neither assume symplecticity for symmetric methods, nor assume symmetry for symplectic methods. It turns out that these both types of integrators have a near conservation of the total and oscillatory energy over a long term. To prove the result for explicit integrators, a relationship between ERKN integrators and trigonometric integrators is established. For the long-term analysis of implicit integrators, the above approach does not work anymore and we use the technology of modulated Fourier expansion. By taking some adaptations of this technology for implicit methods, we derive the modulated Fourier expansion and show the near energy conservation.

     

A Note on Conservation Laws of Symplectic Difference Schemes for Hamiltonian Systems

In this paper we consider the necessary conditions of conservation laws of symplectic difference schemes for Hamiltonian systems and give an example which shows that there does not exist any centered symplectic difference scheme which preserves all Hamiltonian energy.     

On the conservativeness of a two-parameter family of three-stage symmetric-symplectic Runge-Kutta methods

We study the conservation of the total energy in the numerical solution of the Cauchy problem for the equations of classical molecular dynamics by symplectic and symmetric methods. On the basis of the analysis of a two-parameter family of three-stage symmetricsymplectic Runge-Kutta methods, we suggest a one-parameter family of methods preserving the Hamiltonian function. Test computations for sample problems justify a sufficiently high accuracy of the methods.     

High-Order Symplectic and Symmetric Composition Methods for Multi-Frequency and Multi-Dimensional Oscillatory Hamiltonian Systems

The multi-frequency and multi-dimensional adapted Runge-Kutta-Nyström (ARKN) integrators, and multi-frequency and multi-dimensional extended Runge-Kutta-Nyström(ERKN) integrators have been developed to efficiently solve multi-frequency oscillatory Hamiltonian systems. The aim of this paper is to analyze and derive high-order symplectic and symmetric composition methods based on the ARKN integrators and ERKN integrators. We first consider the symplecticity conditions for the multi-frequency and multi-dimensional ARKN integrators. We then analyze the symplecticity of the adjoint integrators of the multi-frequency and multi-dimensional symplectic ARKN integrators and ERKN integrators, respectively. On the basis of the theoretical analysis and by using the idea of composition methods, we derive and propose four new high-order symplectic and symmetric methods for the multi-frequency oscillatory Hamiltonian systems. The numerical results accompanied in this paper quantitatively show the advantage and efficiency of the proposed high-order symplectic and symmetric methods.     

Backward error analysis for multi-symplectic integration methods

Summary. A useful method for understanding discretization error in the numerical solution of ODEs is to compare the system of ODEs with the modified equations obtained through backward error analysis, and using symplectic integration for Hamiltonian ODEs provides more incite into the modified equations. In this paper, the ideas of symplectic integration are extended to Hamiltonian PDEs, and this paves the way for the development of a local modified equation analysis solely as a useful diagnostic tool for the study of these types of discretizations. In particular, local conservation laws of energy and momentum are not preserved exactly when symplectic integrators are used to discretize, but the modified equations are used to derive modified conservation laws that are preserved to higher order along the numerical solution. These results are also applied to the nonlinear wave equation. Mathematics Subject Classification (1991):65M06, 65P10, 37K05     

Energy and Quadratic Invariants Preserving Methods for Hamiltonian Systems with Holonomic Constraints

We introduce a new class of parametrized structure--preserving partitioned Runge-Kutta ($\alpha$-PRK) methods for Hamiltonian systems with holonomic constraints. The methods are symplectic for any fixed scalar parameter $\alpha$, and are reduced to the usual symplectic PRK methods like Shake-Rattle method or PRK schemes based on Lobatto IIIA-IIIB pairs when $\alpha=0$. We provide a new variational formulation for symplectic PRK schemes and use it to prove that the $\alpha$-PRK methods can preserve the quadratic invariants for Hamiltonian systems subject to holonomic constraints. Meanwhile, for any given consistent initial values $(p_{0}, q_0)$ and small step size $h>0$, it is proved that there exists $\alpha^*=\alpha(h, p_0, q_0)$ such that the Hamiltonian energy can also be exactly preserved at each step. Based on this, we propose some energy and quadratic invariants preserving $\alpha$-PRK methods. These $\alpha$-PRK methods are shown to have the same convergence rate as the usual PRK methods and perform very well in various numerical experiments.     

Stochastic discrete Hamiltonian variational integrators

Variational integrators are derived for structure-preserving simulation of stochastic Hamiltonian systems with a certain type of multiplicative noise arising in geometric mechanics. The derivation is based on a stochastic discrete Hamiltonian which approximates a type-II stochastic generating function for the stochastic flow of the Hamiltonian system. The generating function is obtained by introducing an appropriate stochastic action functional and its corresponding variational principle. Our approach permits to recast in a unified framework a number of integrators previously studied in the literature, and presents a general methodology to derive new structure-preserving numerical schemes. The resulting integrators are symplectic; they preserve integrals of motion related to Lie group symmetries; and they include stochastic symplectic Runge–Kutta methods as a special case. Several new low-stage stochastic symplectic methods of mean-square order 1.0 derived using this approach are presented and tested numerically to demonstrate their superior long-time numerical stability and energy behavior compared to nonsymplectic methods.     

New open modified Newton Cotes type formulae as multilayer symplectic integrators

New modified open Newton Cotes integrators are introduced in this paper. For the new proposed integrators the connection between these new algorithms, differential methods and symplectic integrators is studied. Much research has been done on one step symplectic integrators and several of them have obtained based on symplectic geometry. However, the research on multistep symplectic integrators is very poor. Zhu et al. [1] studied the well known open Newton Cotes differential methods and they presented them as multilayer symplectic integrators. Chiou and Wu [2] studied the development of multistep symplectic integrators based on the open Newton Cotes integration methods. In this paper we introduce a new open modified numerical method of Newton Cotes type and we present it as symplectic multilayer structure. The new obtained symplectic schemes are applied for the solution of Hamilton’s equations of motion which are linear in position and momentum. An important remark is that the Hamiltonian energy of the system remains almost constant as integration proceeds. We have applied also efficiently the new proposed method to a nonlinear orbital problem and an almost periodic orbital problem.     

Canonical B-series

Summary. B-series provide a powerful general tool to express numerical methods for differential equations. Many differential equations are of Hamiltonian form and there has been much recent interest in constructing so-called canonical or symplectic integrators for the Hamiltonian case. In this paper we provide a necessary and sufficient condition for a B-series to correspond to a canonical method. Received March 15, 1993     

Symplectic structure-preserving integrators for the two-dimensional Gross-Pitaevskii equation for BEC

Symplectic integrators have been developed for solving the two-dimensional Gross-Pitaevskii equation. The equation is transformed into a Hamiltonian form with symplectic structure. Then, symplectic integrators, including the midpoint rule, and a splitting symplectic scheme are developed for treating this equation. It is shown that the proposed codes fulfill the discrete charge conservation law. Furthermore, the global error of the numerical solution is theoretically estimated. The theoretical analysis is supported by some numerical simulations.     

Symplectic Difference Schemes for Linear Hamiltonian Canonical Systems

In this paper, we present some results of a study, specifically within the framework of symplectic geometry, of difference schemes for numerical solution of the linear Hamiltonian systems. We generalize the Cayley transform with which we can get different types of symplectic schemes. These schemes are various generalizations of the Euler centered scheme. They preserve all the invariant first integrals of the linear Hamiltonian systems.     

The numerical approximation of center manifolds in Hamiltonian systems

In this paper we develop a numerical method for computing higher order local approximations of center manifolds near steady states in Hamiltonian systems. The underlying system is assumed to be large in the sense that a large sparse Jacobian at the equilibrium occurs, for which only a linear solver and a low-dimensional invariant subspace is available. Our method combines this restriction from linear algebra with the requirement that the center manifold is parametrized by a symplectic mapping and that the reduced equation preserves the Hamiltonian form. Our approach can be considered as a special adaptation of a general method from Numer. Math. 80 (1998) 1-38 to the Hamiltonian case such that approximations of the reduced Hamiltonian are obtained simultaneously. As an application we treat a finite difference system for an elliptic problem on an infinite strip.     

A CLASS OF EXPLICIT RATIONAL SYMPLECTIC INTEGRATORS

In this paper, a class of rational explicit symplectic integrators for one-dimensional oscillatory Hamiltonian problems are presented. These methods are zero-dissipative, and of first algebraic order and high phase-lag order. By means of composition technique, we construct second and fourth order methods with high phase-lag order of this type. Based on our ideas, three applicable explicit symplectic schemes with algebraic order one, two and four are derived, respectively. We report some numerical results to illustrate the good performance of our methods.     

Conserved quantities of some Hamiltonian wave equations after full discretization

Hamiltonian PDEs have some invariant quantities, which would be good to conserve with the numerical integration. In this paper, we concentrate on the nonlinear wave and Schrödinger equations. Under hypotheses of regularity and periodicity, we study how a symmetric space discretization makes that the space discretized system also has some invariants or `nearly' invariants which well approximate the continuous ones. We conjecture some facts which would explain the good numerical approximation of them after time integration when using symplectic Runge-Kutta methods or symmetric linear multistep methods for second-order systems.     

Two Novel Classes of Arbitrary High-Order Structure-Preserving Algorithms for Canonical Hamiltonian Systems

In this paper, we systematically construct two classes of structure-preserving schemes with arbitrary order of accuracy for canonical Hamiltonian systems. The one class is the symplectic scheme, which contains two new families of parameterized symplectic schemes that are derived by basing on the generating function method and the symmetric composition method, respectively. Each member in these schemes is symplectic for any fixed parameter. A more general form of generating functions is introduced, which generalizes the three classical generating functions that are widely used to construct symplectic algorithms. The other class is a novel family of energy and quadratic invariants preserving schemes, which is devised by adjusting the parameter in parameterized symplectic schemes to guarantee energy conservation at each time step. The existence of the solutions of these schemes is verified. Numerical experiments demonstrate the theoretical analysis and conservation of the proposed schemes.     

Computing statistics for Hamiltonian systems: A case study

We present the results of a set of numerical experiments designed to investigate the appropriateness of various integration schemes for molecular dynamics simulations. In particular, we wish to identify which numerical methods, when applied to an ergodic Hamiltonian system, sample the state-space in an unbiased manner. We do this by describing two Hamiltonian system for which we can analytically compute some of the important statistical features of its trajectories, and then applying various numerical integration schemes to them. We can then compare the results from the numerical simulation against the exact results for the system and see how closely they agree. The statistic we study is the empirical distribution of particle velocity over long trajectories of the systems. We apply four methods: one symplectic method (Störmer–Verlet) and three energy-conserving step-and-project methods. The symplectic method performs better on both test problems, accurately computing empirical distributions for all step-lengths consistent with stability. Depending on the test system and the method, the step-and-project methods are either no longer ergodic for any step length (thus giving the wrong empirical distribution) or give the correct distribution only in the limit of step-size going to zero.     

Symplectic and multi-symplectic wavelet collocation methods for two-dimensional Schrödinger equations

In this paper, we develop symplectic and multi-symplectic wavelet collocation methods to solve the two-dimensional nonlinear Schrödinger equation in wave propagation problems and the two-dimensional time-dependent linear Schrödinger equation in quantum physics. The Hamiltonian and the multi-symplectic formulations of each equation are considered. For both formulations, wavelet collocation method based on the autocorrelation function of Daubechies scaling functions is applied for spatial discretization and symplectic method is used for time integration. The conservation of energy and total norm is investigated. Combined with splitting scheme, splitting symplectic and multi-symplectic wavelet collocation methods are also constructed. Numerical experiments show the effectiveness of the proposed methods.     

Symplectic exponentially-fitted four-stage Runge–Kutta methods of the Gauss type

The construction of symmetric and symplectic exponentially-fitted Runge–Kutta methods for the numerical integration of Hamiltonian systems with oscillatory solutions deserves a lot of interest. In previous papers fourth-order and sixth-order symplectic exponentially-fitted integrators of Gauss type, either with fixed or variable nodes, have been derived. In this paper new such integrators of eighth-order are studied and constructed by making use of the six-step procedure of Ixaru and Vanden Berghe (2004). Numerical experiments for some oscillatory problems are presented.