Energy drift in reversible time integration


Robert I McLachlan and Matthew Perlmutter

Submitted to Physics Letters A

Abstract:
Energy drift is commonly observed in reversible integrations of systems of molecular dynamics. We show that this drift can be modelled as a diffusion and that the typical energy error after time $T$ is $\O(\sqrt{T})$.
Submitted by R.McLachlan@massey.ac.nz Wed, 27 Jun 2001

Email of author:
R.McLachlan@massey.ac.nz

URL of author:
http://www.massey.ac.nz/~RMcLachl/

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2000-005