A New Time-Reversible Integrator for Molecular Dynamics Applications
Computational Physics
2007-05-23 v2
Abstract
Molecular Dynamics method is based on solution of Newtonian differential equations of motion. A new very accurate and efficient time-reversible explicit integrator was derived on the basis of second order Tailor expansion of force. There is good reason to think the new method will be easy-to-use for MD and, possibly, celestial mechanics applications.
Cite
@article{arxiv.physics/0405124,
title = {A New Time-Reversible Integrator for Molecular Dynamics Applications},
author = {Vasilii Zhakhovskii},
journal= {arXiv preprint arXiv:physics/0405124},
year = {2007}
}
Comments
4 pages, 2 figures, Eq.(15) was added, more precise MD tests have been performed