Geometric generalisations of SHAKE and RATTLE

DOI10.1007/S10208-013-9163-YzbMATH Open1347.37131arXiv1207.3367OpenAlexW2111027538MaRDI QIDQ404281FDOQ404281

Klas Modin, Olivier Verdier, Robert I. McLachlan, Matt Wilkins

Publication date: 4 September 2014

Published in: Foundations of Computational Mathematics (Search for Journal in Brave)

Abstract: A geometric analysis of the Shake and Rattle methods for constrained Hamiltonian problems is carried out. The study reveals the underlying differential geometric foundation of the two methods, and the exact relation between them. In addition, the geometric insight naturally generalises Shake and Rattle to allow for a strictly larger class of constrained Hamiltonian systems than in the classical setting. In order for Shake and Rattle to be well defined, two basic assumptions are needed. First, a nondegeneracy assumption, which is a condition on the Hamiltonian, i.e., on the dynamics of the system. Second, a coisotropy assumption, which is a condition on the geometry of the constrained phase space. Non-trivial examples of systems fulfilling, and failing to fulfill, these assumptions are given.

Full work available at URL: https://arxiv.org/abs/1207.3367

zbMATH Keywords

symplectic integratorsconstrained Hamiltonian systemscoisotropic submanifolds

Mathematics Subject Classification ID

Numerical methods for differential-algebraic equations (65L80) Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Discretization methods and integrators (symplectic, variational, geometric, etc.) for dynamical systems (37M15) Constrained dynamics, Dirac's theory of constraints (70H45)

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Cited In (12)

• Multisymplectic discretization of wave map equations
• Dynamical representations of constrained multicomponent nonlinear Schrödinger equations in arbitrary dimensions
• A minimal-variable symplectic integrator on spheres
• A numerical damped oscillator approach to constrained Schrödinger equations
• Lie-Poisson methods for isospectral flows
• Retraction maps: a seed of geometric integrators
• Construction and analysis of higher order variational integrators for dynamical systems with holonomic constraints
• Projected exponential Runge-Kutta methods for preserving dissipative properties of perturbed constrained Hamiltonian systems
• Geometry of discrete-time spin systems
• Staying the course: iteratively locating equilibria of dynamical systems on Riemannian manifolds defined by point-clouds
• Variational discretizations of gauge field theories using group-equivariant interpolation
• Geometrical aspects of rapid vibrations and rotations

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