• Corpus ID: 9342409

A new approach to the integration of rotational motion in systems with interacting rigid bodies

@article{Omelyan1999ANA,
  title={A new approach to the integration of rotational motion in systems with interacting rigid bodies},
  author={Igor Omelyan},
  journal={arXiv: Computational Physics},
  year={1999}
}
  • I. Omelyan
  • Published 17 January 1999
  • Physics
  • arXiv: Computational Physics
A new approach is developed to integrate numerically the equations of motion for systems of interacting rigid polyatomic molecules. With the aid of a leapfrog framework, we directly involve principal angular velocities into the integration, whereas orientational positions are expressed in terms of either principal axes or quaternions. As a result, the rigidness of molecules appears to be an integral of motion, despite the atom trajectories are evaluated approximately. The algorithm derived is… 

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