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High-order symplectic integration: an assessment

✍ Scribed by Ch. Schlier; A. Seiter

Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
331 KB
Volume
130
Category
Article
ISSN
0010-4655

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✦ Synopsis

We report tests of some new symplectic integration routines of sixth and eighth order applied to the integration of classical trajectories for a triatomic model molecule. This system has mixed regular and chaotic phase space. Especially for long-lived trajectories, which are trapped in the stochastic layers of the phase space, the eighth-order integrators are very powerful. Among a great number of integrating routines tested by the authors they are the most efficient ones, i.e. they need the smallest computational expense at a prescribed accuracy level.

πŸ“œ SIMILAR VOLUMES

An explicit and symplectic integrator fo
An explicit and symplectic integrator for quantum-classical molecular dynamics
✍ Peter Nettesheim; Folkmar A. Bornemann; Burkhard Schmidt; Christof SchΓΌtte πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 545 KB

An explicit and symplectic integrator called PICKABACK for quantum-classical molecular dynamics is presented. The integration scheme is time reversible and unitary in the quantum part. We use the Lie formalism in order to construct a formal evolution operator which is split by the Strang splitting y